SCHEMBL718497

SCHEMBL718497

Cc1sc2ccccc2c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.50
ALDH1A1 P00352 4/20 0.44
MAPT P10636 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PTGS2 P35354 2/20 0.40
ALOX15 P16050 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HTR2A P28223 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL10745045 0.77 KDM4E (0.52) GPR3ALDH1A1MAPTMEN1KMT2A
SCHEMBL28494462 0.77 GPR3 (0.50) GPR3ALDH1A1MAPTMEN1KMT2A
SCHEMBL144440 0.76 GPR3 (0.55) GPR3ALDH1A1MAPTMEN1KMT2A
SCHEMBL309376 0.76 GPR3 (0.55) GPR3ALDH1A1MAPTMEN1KMT2A
SCHEMBL29434786 0.76 GPR3 (0.55) GPR3ALDH1A1MAPTMEN1KMT2A
SCHEMBL1518983 0.76 GPR3 (0.55) GPR3ALDH1A1MAPTMEN1KMT2A
SCHEMBL24665533 0.75 NQO1 (0.35) ALDH1A1MAPTKDM4ENPC1RAB9A
Ammonia Solution, Strong SCHEMBL28459123 0.74 GPR3 (0.52) GPR3ALDH1A1MAPTMEN1KMT2A
SCHEMBL19135547 0.74 GPR3 (0.52) GPR3ALDH1A1MAPTMEN1KMT2A
SCHEMBL13511901 0.73 GPR3 (0.50) GPR3ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106905312-B Has a Hg-pair ratio2+Asymmetric perfluorocyclopentene compound continuously selective with Cys and preparation method and application thereof 江西科技师范大学 2020-05-15 CN claimed
CN-106905312-A With to Hg2+Continuously selective asymmetric perfluoro-cyclopentene compound and its preparation method and application with Cys 江西科技师范大学 2017-06-30 CN claimed
WO-2025242650-A1 SWITCHABLE ENCAPSULATED LUMINESCENT PIGMENTS GIESECKE+DEVRIENT CURRENCY TECHNOLOGY GMBH (DE) 2025-11-27 WO disclosed
WO-2022262310-A1 METHOD FOR SYNTHESIZING BTBF AROMATIC AMINE DERIVATIVES 广东阿格蕾雅光电材料有限公司 2022-12-22 WO disclosed
EP-4053124-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-09-07 EP disclosed
EP-4010328-A1 5-HETEROARYL-PYRIDIN-2-AMINE CONFOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Domain Therapeutics (FR) 2022-06-15 EP disclosed
WO-2021083060-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2021-05-06 WO disclosed
CN-106905312-B Has a Hg-pair ratio2+Asymmetric perfluorocyclopentene compound continuously selective with Cys and preparation method and application thereof 江西科技师范大学 2020-05-15 CN disclosed
CN-106905312-A With to Hg2+Continuously selective asymmetric perfluoro-cyclopentene compound and its preparation method and application with Cys 江西科技师范大学 2017-06-30 CN disclosed
US-9090639-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2015-07-28 US disclosed
US-9090639-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2015-07-28 US disclosed
WO-2006107784-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-12 WO disclosed
US-20060097225-A1 Optical recording material ASAHI GLASS COMPANY, LIMITED (JP) 2006-05-11 US disclosed
US-20060094839-A1 Methods of using heterocycle-amine ligands, compositions, complexes, and catalysts SYMYX TECHNOLOGIES, INC. (US) 2006-05-04 US disclosed
US-20060094867-A1 Heterocycle-amine ligands, compositions, complexes, and catalysts SYMYX TECHNOLOGIES, INC. (US) 2006-05-04 US disclosed
WO-2006036748-A2 HETEROCYCLE-AMINE LIGANDS, COMPOSITIONS, COMPLEXES, AND CATALYSTS, AND METHODS OF MAKING AND USING THE SAME SYMYX TECHNOLOGIES, INC. (US) 2006-04-06 WO disclosed
EP-1637573-A1 OPTICAL RECORDING MATERIAL ASAHI GLASS COMPANY LTD. (JP) 2006-03-22 EP disclosed
EP-0217530-B1 DIHYDROPYRIDINES ELI LILLY AND COMPANY (US) 1990-10-31 EP disclosed
US-4659717-A CAUSING VASODILATION ELI LILLY AND COMPANY (US) 1987-04-21 US disclosed
EP-0217530-A1 Dihydropyridines ELI LILLY AND COMPANY (US) 1987-04-08 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 (2 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-20060094867-A1 Heterocycle-amine ligands, compositions, complexes, and catalysts PCNA, MYB, PNMT GPR3 3110/4885ALDH1A1 2956/4885MAPT 1356/4885
US-20060094839-A1 Methods of using heterocycle-amine ligands, compositions, complexes, and catalysts PCNA, PPOX, ODC1 GPR3 3872/4885ALDH1A1 2397/4885MAPT 1597/4885

“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.