Iodide

Iodide

SCHEMBL2845889

CC[N+]1=C(C)C(C)(C)c2c1ccc1ccccc21.[I-]

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
TDP1 Q9NUW8 4/20 0.65
LMNA P02545 3/20 0.65
MAPT P10636 3/20 0.65
THRB P10828 3/20 0.65
HTT P42858 3/20 0.65
RECQL P46063 3/20 0.65
KDM4E B2RXH2 1/20 0.65
APEX1 P27695 1/20 0.65
PRMT1 Q99873 7/20 0.49
ALDH1A1 P00352 4/20 0.36
CYP2A6 P11509 3/20 0.36
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
HTR2B P41595 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PRMT5 O14744 1/20 0.34
PRMT8 Q9NR22 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12146319 0.98 MEN1 (0.67) MEN1KMT2ATDP1LMNAMAPT
SCHEMBL29767729 0.98 MEN1 (0.67) MEN1KMT2ATDP1LMNAMAPT
Bromide SCHEMBL31674744 0.97 MEN1 (0.65) MEN1KMT2ATDP1LMNAMAPT
Iodide SCHEMBL26979236 0.85 MEN1 (0.58) MEN1KMT2ATDP1LMNAMAPT
SCHEMBL12364558 0.84 MEN1 (0.60) MEN1KMT2ATDP1LMNAMAPT
Iodide SCHEMBL21192749 0.83 HTT (0.56) MEN1KMT2ATDP1LMNAMAPT
Iodide SCHEMBL22542616 0.83 HTT (0.56) MEN1KMT2ATDP1LMNAMAPT
Iodide SCHEMBL22614761 0.83 HTT (0.56) MEN1KMT2ATDP1LMNAMAPT
SCHEMBL13592434 0.83 MEN1 (0.63) MEN1KMT2ATDP1LMNAMAPT
SCHEMBL25592207 0.83 KMT2A (0.63) MEN1KMT2ATDP1LMNAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210393807-A1 PHOTOACOUSTIC VOLTAGE-SENSITIVE DYES FOR IN VIVO IMAGING UNIVERSITY OF CONNECTICUT 2021-12-23 US disclosed
US-10808128-B2 Compounds as fluorescent probes, synthesis and applications thereof INSTITUTE FOR STEM CELL BIOLOGY AND REGENERATIVE MEDICINE (INSTEM) (IN) 2020-10-20 US disclosed
US-20180200389-A1 PHOTOACOUSTIC VOLTAGE-SENSITIVE DYES FOR IN VIVO IMAGING THE JOHNS HOPKINS UNIVERSITY 2018-07-19 US disclosed
US-20100129293-A1 Near Infrared Imaging Agent INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT BERLIN (DE) 2010-05-27 US disclosed
US-7655217-B2 Near infrared imaging agent Institut fur Diagnosikforschung GmbH (DE) 2010-02-02 US disclosed
US-7445767-B2 In-vivo diagnostic method by near infrared radiation INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT BERLIN (DE) 2008-11-04 US disclosed
US-20060165599-A1 Near infrared imaging agent INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH (DE) 2006-07-27 US disclosed
US-20060165598-A1 In-vivo diagnostic method by near infrared radiation INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT BERLIN (DE) 2006-07-27 US disclosed
US-7025949-B2 In-vivo diagnostic method by means of near infrared radiation INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT BERLIN (DE) 2006-04-11 US disclosed
US-6926885-B2 In-vivo diagnostic method by means of near infrared radiation INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH (DE) 2005-08-09 US disclosed
US-20050106106-A1 In-vivo diagnostic method by near infrared radiation INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT BERLIN (DE) 2005-05-19 US disclosed
EP-1104761-B1 FLUORESCENT LABELLING REAGENTS DAIICHI PURE CHEMICALS CO LTD (JP) 2004-10-13 EP disclosed
US-20030170179-A1 Near infrared imaging agent INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITA (COPY) 2003-09-11 US disclosed
US-20030026763-A1 In-vivo diagnostic method by means of near infrared radiation INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT BERLIN 2003-02-06 US disclosed
US-6403625-B1 2(7-(1,3-DIHYDRO-1,1-DIMETHYL-3-ETHYLBENZ(E)INDOLIN-2-YLIDENE) -1,3,5-HEPTATRIENYL)-1,1-DIMETHYL-3-((6-((1,3-THIAZOLIDINE-2-T HION)-1-YL)-6-OXO)HEXYL)-1H-BENZ(E)INDOLIUM CHLORIDE; STAINS PROTEINS FOR CANCER IDENTIFICATION DAIICHI PURE CHEMICALS CO., LTD. (JP) 2002-06-11 US disclosed
EP-1181940-A2 In vivo diagnostics by near infrared radiation INSTITUT FÜR DIAGNOSTIKFORSCHUNG GmbH AN DER FREIEN UNIVERSITÄT BERLIN (DE) 2002-02-27 EP disclosed
US-20010055567-A1 In-vivo diagnostic method by means of near infrared radiation INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT BERLIN 2001-12-27 US disclosed
US-6258340-B1 USING WATER-SOLUBLE DYES AND THEIR BIOMOLECULE ADDUCTS EACH HAVING SPECIFIC PHOTOPHYSICAL AND PHARMOCHEMICAL PROPERTIES INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH (DE) 2001-07-10 US disclosed
EP-1104761-A1 FLUORESCENT LABELLING REAGENTS DAIICHI PURE CHEMICALS CO., LTD. (JP) 2001-06-06 EP disclosed
US-6083485-A USEING WATER-SOLUBLE DYES AND THEIR BIOMOLECULE ADDUCTS AS CONTRAST MEDIUM FOR FLUORESCENCE AND TRANSILLUMINATION DIAGNOSTICS IN THE NEAR INFRARED RADIATION RANGE INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH (DE) 2000-07-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060165598-A1 In-vivo diagnostic method by near infrared radiation GUSB, CYBA, ABCG2 MEN1 2301/4885KMT2A 4813/4885TDP1 1214/4885
US-20100129293-A1 Near Infrared Imaging Agent UGT1A10, ABCG2, SLCO1B1 MEN1 2145/4885KMT2A 4699/4885TDP1 1510/4885
US-20210393807-A1 PHOTOACOUSTIC VOLTAGE-SENSITIVE DYES FOR IN VIVO IMAGING KCNN2, KCNN1, KCNN3 MEN1 2750/4885KMT2A 3916/4885TDP1 2161/4885
US-20050106106-A1 In-vivo diagnostic method by near infrared radiation GUSB, CYBA, ABCG2 MEN1 2301/4885KMT2A 4813/4885TDP1 1214/4885
US-20180200389-A1 PHOTOACOUSTIC VOLTAGE-SENSITIVE DYES FOR IN VIVO IMAGING KCNN2, KCNN1, KCNN3 MEN1 2750/4885KMT2A 3916/4885TDP1 2161/4885
US-20060165599-A1 Near infrared imaging agent UGT1A10, ABCG2, SLCO1B1 MEN1 2145/4885KMT2A 4699/4885TDP1 1510/4885
US-20010055567-A1 In-vivo diagnostic method by means of near infrared radiation GUSB, ABCG2, SLCO1B1 MEN1 2339/4885KMT2A 4842/4885TDP1 1497/4885
US-20030026763-A1 In-vivo diagnostic method by means of near infrared radiation GUSB, ABCG2, SLCO1B1 MEN1 2339/4885KMT2A 4842/4885TDP1 1497/4885
US-20030170179-A1 Near infrared imaging agent UGT1A10, ABCG2, SLCO1B1 MEN1 2145/4885KMT2A 4699/4885TDP1 1510/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.