SCHEMBL4616776

SCHEMBL4616776

NCCc1ccc(O)c(I)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.67
MAPK1 P28482 3/20 0.67
KDM4E B2RXH2 3/20 0.67
ADRA2A P08913 3/20 0.67
SLC6A2 P23975 3/20 0.67
MAPT P10636 2/20 0.67
DRD2 P14416 2/20 0.67
DRD1 P21728 2/20 0.67
DRD4 P21917 2/20 0.67
DRD5 P21918 2/20 0.67
DRD3 P35462 2/20 0.67
RECQL P46063 2/20 0.67
SLC6A3 Q01959 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
ALDH1A1 P00352 2/20 0.67
HTR1A P08908 2/20 0.67
TP53 P04637 1/20 0.67
ADRB2 P07550 1/20 0.67
CYP2D6 P10635 1/20 0.67
ALOX15 P16050 1/20 0.67

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
Hydrochloric Acid SCHEMBL5318190 0.98 MAPK1 (0.68) TAAR1MAPK1KDM4EADRA2ASLC6A2
SCHEMBL14575050 0.83 TAAR1 (0.67) TAAR1MAPK1KDM4EADRA2ASLC6A2
SCHEMBL13886597 0.83 TAAR1 (0.74) TAAR1MAPK1KDM4EADRA2ASLC6A2
SCHEMBL7943754 0.83 ABAT (0.46) TAAR1MAPK1KDM4EADRA2ASLC6A2
SCHEMBL5212328 0.81 KDM4E (0.65) TAAR1MAPK1KDM4EADRA2ASLC6A2
SCHEMBL13886595 0.81 TAAR1 (0.56) TAAR1MAPK1KDM4EADRA2ASLC6A2
Dopamine SCHEMBL496657 0.80 KDM4E (1.00) TAAR1MAPK1KDM4EADRA2ASLC6A2
Dopamine SCHEMBL18159501 0.80 KDM4E (1.00) TAAR1MAPK1KDM4EADRA2ASLC6A2
Dopamine SCHEMBL8505 0.80 KDM4E (1.00) TAAR1MAPK1KDM4EADRA2ASLC6A2
Dopamine SCHEMBL9166387 0.80 KDM4E (1.00) TAAR1MAPK1KDM4EADRA2ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3930948-A ENZYMATIC METHOD FOR PRODUCING AROMATIC ETHYLAMINES AJINOMOTO CO., INC. (JA) 1976-01-06 US claimed
CN-117986264-A Benzo nitrogen-containing polycyclic derivative regulator and preparation method and application thereof 江苏豪森药业集团有限公司 2024-05-07 CN disclosed
US-20190105409-A9 IMAGING AGENTS WITH IMPROVED PHARMACOKINETIC PROFILES GE HEALTHCARE AS (NO) 2019-04-11 US disclosed
US-10220100-B2 Halogenated phenols for diagnostics, antioxidant protection and drug delivery LATHAM KEITH R (US) 2019-03-05 US disclosed
US-20180369395-A9 Halogenated Phenols for Diagnostics, Antioxidant Protection and Drug Delivery LATHAM KEITH R (US) 2018-12-27 US disclosed
US-20180117164-A1 Halogenated Phenols for Diagnostics, Antioxidant Protection and Drug Delivery LATHAM KEITH R (US) 2018-05-03 US disclosed
US-9144613-B2 Halogenated phenols for diagnostics, antioxidant protection and drug delivery LATHAM KEITH R (US) 2015-09-29 US disclosed
US-9125946-B2 Halogenated phenols for diagnostics, antioxidant protection and drug delivery LATHAM KEITH R (US) 2015-09-08 US disclosed
US-20140286866-A1 IMAGING AGENTS WITH IMPROVED PHARMACOKINETIC PROFILES GE HEALTHCARE AS (NO) 2014-09-25 US disclosed
EP-2755939-A2 HALOGENATED PHENOLS FOR DIAGNOSTICS, ANTIOXIDANT PROTECTION AND DRUG DELIVERY Latham, Keith, R. (US) 2014-07-23 EP disclosed
EP-1682113-B1 INHIBITOR IMAGING AGENTS GE HEALTHCARE LTD (GB) 2008-01-23 EP disclosed
US-20070104644-A1 Inhibitor imaging agents CUTHBERTSON ALAN 2007-05-10 US disclosed
CN-1901894-A Inhibitor imaging agents GE HEALTHCARE LTD (GB) 2007-01-24 CN disclosed
EP-1682113-A1 INHIBITOR IMAGING AGENTS GE Healthcare Limited (GB) 2006-07-26 EP disclosed
WO-2006004429-A2 IMAGING AGENTS COMPRISING A NON- PEPTIDIC VECTOR LINKED TO A FLUOROPHORE VIA A POLYETHYLENE GLYCOL LINKER GE HEALTHCARE AS (NO) 2006-01-12 WO disclosed
WO-2005049005-A1 INHIBITOR IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2005-06-02 WO disclosed
EP-0595743-B1 Bihaptinic derivatives for binding technetium or rhenium, process for their preparation, application for diagnosis and therapy, kits and immunological reactants comprising them. IMMUNOTECH PARTNERS (FR) 2001-03-14 EP disclosed
EP-0595743-A1 Bihaptinic derivatives for binding for technetium or rhenium, process for their preparation, application for diagnosis and therapy, kits and immunological reactants comprising them IMMUNOTECH PARTNERS:Société Anonyme dite (FR) 1994-05-04 EP disclosed
US-5242680-A Diagnostic and therapeutic MERCK & CO., INC. (US) 1993-09-07 US disclosed
EP-0524722-A1 Thiol-reactive maleimido-based radiolabeling reagents MERCK & CO. INC. (US) 1993-01-27 EP 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 (6 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-20190105409-A9 IMAGING AGENTS WITH IMPROVED PHARMACOKINETIC PROFILES SLC10A1, SLC10A2, SLC19A1 TAAR1 1265/4885MAPK1 4828/4885KDM4E 4117/4885
US-20180369395-A9 Halogenated Phenols for Diagnostics, Antioxidant Protection and Drug Delivery COMT, GPX4, GPX1 TAAR1 2120/4885MAPK1 3227/4885KDM4E 1845/4885
US-10220100-B2 Halogenated phenols for diagnostics, antioxidant protection and drug delivery COMT, GPX4, GPX1 TAAR1 2120/4885MAPK1 3227/4885KDM4E 1845/4885
US-20180117164-A1 Halogenated Phenols for Diagnostics, Antioxidant Protection and Drug Delivery COMT, GPX4, GPX1 TAAR1 2120/4885MAPK1 3227/4885KDM4E 1845/4885
US-20140286866-A1 IMAGING AGENTS WITH IMPROVED PHARMACOKINETIC PROFILES SLC10A1, SLC10A2, SLC19A1 TAAR1 1265/4885MAPK1 4828/4885KDM4E 4117/4885
US-20070104644-A1 Inhibitor imaging agents MMP3, MMP1, MMP10 TAAR1 3892/4885MAPK1 2045/4885KDM4E 1083/4885

“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.