SCHEMBL582334

SCHEMBL582334

c1ccc2c3c(ccc2c1)NCC3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
HSD17B10 Q99714 4/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP2A6 P11509 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
HPGD P15428 4/20 0.41
HTT P42858 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CASP1 P29466 1/20 0.41
MPI P34949 1/20 0.41

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 SCHEMBL5396075 0.98 NOTUM (0.44) NOTUMHSD17B10ALDH1A1CYP2A6TSHR
Bromide SCHEMBL8014734 0.98 NOTUM (0.44) NOTUMHSD17B10ALDH1A1CYP2A6TSHR
Bromide SCHEMBL5406141 0.98 NOTUM (0.44) NOTUMHSD17B10ALDH1A1CYP2A6TSHR
Iodide SCHEMBL5402073 0.98 NOTUM (0.44) NOTUMHSD17B10ALDH1A1CYP2A6TSHR
Hydrochloric Acid SCHEMBL8013061 0.98 NOTUM (0.44) NOTUMHSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL29269316 0.91 HPRT1 (0.50) NOTUMHSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL1441340 0.89 BCHE (0.44) NOTUMHSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL6627569 0.87 BCHE (0.40) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL8007486 0.83 HPGD (0.35) NOTUMHSD17B10ALDH1A1BCHEACHE
SCHEMBL4507840 0.83 ALDH1A1 (0.45) NOTUMHSD17B10ALDH1A1BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240158639-A1 PROCESS FOR PREPARING INDOCYANINE GREEN ICROM SRL (IT) 2024-05-16 US claimed
WO-2023037843-A1 NOVEL DOUBLE-SQUARAINE DYE AND METHOD FOR PRODUCING SAME 国立大学法人九州工業大学 2023-03-16 WO claimed
CN-115605529-A Photochromic polydiorganosiloxane ethylene crosslinkers 爱尔康公司(CH) 2023-01-13 CN claimed
US-10976319-B2 Cell response assay for cancer and methods of producing and using same SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2021-04-13 US claimed
US-20190339278-A1 CELL RESPONSE ASSAY FOR CANCER AND METHODS OF PRODUCING AND USING SAME SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2019-11-07 US claimed
EP-2748337-B1 CELL RESPONSE ASSAY FOR CANCER AND METHODS OF PRODUCING AND USING SAME SIEMENS HEALTHCARE DIAGNOSTICS INC (US) 2019-08-07 EP claimed
US-20170153241-A1 CELL RESPONSE ASSAY FOR CANCER AND METHODS OF PRODUCING AND USING SAME SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2017-06-01 US claimed
US-20140235495-A1 CELL RESPONSE ASSAY FOR CANCER AND METHODS OF PRODUCING AND USING SAME SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2014-08-21 US claimed
EP-2748337-A1 CELL RESPONSE ASSAY FOR CANCER AND METHODS OF PRODUCING AND USING SAME Siemens Healthcare Diagnostics Inc. (US) 2014-07-02 EP claimed
WO-2013044099-A1 CELL RESPONSE ASSAY FOR CANCER AND METHODS OF PRODUCING AND USING SAME SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2013-03-28 WO claimed
US-20090148788-A1 COMPOSITIONS AND PROCESSES FOR PREPARING COLOR FILTER ELEMENTS E. I. DU PONT DE NEMOURS AND COMPANY 2009-06-11 US claimed
US-20090148618-A1 COMPOSITIONS AND PROCESSES FOR PREPARING COLOR FILTER ELEMENTS USING ALKALI METAL HYDROXIDES E. I. DU PONT DE NEMOURS AND COMPANY 2009-06-11 US claimed
US-20090149325-A1 COMPOSITIONS AND PROCESSES FOR PREPARING COLOR FILTER ELEMENTS USING ALKALI METAL CARBOXYLATES E. I. DU PONT DE NEMOURS AND COMPANY 2009-06-11 US claimed
US-20090149326-A1 COMPOSITIONS AND PROCESSES FOR PREPARING COLOR FILTER ELEMENTS USING VANADIUM CATALYSTS E. I. DU PONT DE NEMOURS AND COMPANY 2009-06-11 US claimed
US-20080124655-A1 Laser imaging coating and methods for imaging HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2008-05-29 US claimed
WO-2003097635-A1 PROCESSES FOR PREPARING 3-SUBSTITUTED 1-(CHLOROMETHYL)-1,2-DIHYDRO-3H-[RING FUSED INDOL-5-YL(AMINE-DERIVED)] COMPOUNDS AND ANALOGUES THEREOF, AND TO PRODUCTS OBTAINED THEREFROM AUCKLAND UNISERVICES LIMITED (NZ) 2003-11-27 WO claimed
WO-2003072058-A2 DNA-BINDING POLYAMIDE DRUG CONJUGATES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTATED BY THE SECRETARY, DEPARMENT OF HEALTH AND HUMAN SERVICES (US) 2003-09-04 WO claimed
EP-0568993-B1 Chemical amplification resist composition KYOWA HAKKO KOGYO KK (JP) 1998-08-12 EP claimed
US-5527659-A PHOTOSENSITIVITY KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-06-18 US claimed
EP-0568993-A2 Chemical amplification resist composition KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-11-10 EP claimed

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

For each of this compound's patents that has machine-readable text (1 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-20240158639-A1 PROCESS FOR PREPARING INDOCYANINE GREEN INTS9, CA9, SCN9A NOTUM 3234/4885HSD17B10 1491/4885ALDH1A1 385/4885

“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.