SCHEMBL159206

SCHEMBL159206

[c]1cccc(CCc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.44
MAOB P27338 4/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
CYP2A6 P11509 1/20 0.42
HTR2A P28223 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
KCNH2 Q12809 2/20 0.41
FFAR1 O14842 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL921854 0.91 HTR2A (0.48) MAOAMAOBALDH1A1HPGDALOX15
SCHEMBL920960 0.91 MAOA (0.50) MAOAMAOBHTR2ACA2SIGMAR1
SCHEMBL922424 0.89 SIGMAR1 (0.50) MAOAMAOBCA2SIGMAR1
SCHEMBL27636904 0.83 LOXL2 (0.44) MAOAMAOBCYP2A6HTR2ASMN1; SMN2
SCHEMBL3033194 0.83 TAAR1 (0.43) MAOBALDH1A1HTR2ATAAR1LOXL2
SCHEMBL27617806 0.83 MAOB (0.59) MAOAMAOBALDH1A1TDP1SMN1; SMN2
SCHEMBL27617809 0.81 HDAC1 (0.46) ALDH1A1HSD17B10TDP1SMN1; SMN2FFAR1
SCHEMBL711973 0.81 CALM1 (0.57) ALDH1A1LOXL2CA1CA2
SCHEMBL27636919 0.80 MAOB (0.46) MAOAMAOBHSD17B10CYP2A6LOXL2
SCHEMBL1167334 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105980386-B Pyrazolo compounds and uses thereof 基因泰克公司 2021-08-13 CN claimed
EP-2970307-B1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-03-11 EP claimed
US-10035801-B2 Pyrazolo compounds and uses thereof GENENTECH, INC. (US) 2018-07-31 US claimed
CN-105980386-A Pyrazolo compounds and uses thereof 基因泰克公司 2016-09-28 CN claimed
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-03-03 US claimed
EP-2970307-A1 PYRAZOLO COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2016-01-20 EP claimed
WO-2015135094-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2015-09-17 WO claimed
WO-2014139326-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-09-18 WO claimed
US-20070299073-A1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2007-12-27 US claimed
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2007-02-08 US claimed
EP-1086086-B1 IMIDAZOLYL DERIVATIVES AND THEIR USE AS SOMATOSTATIN RECEPTOR LIGANDS CONSEILS DE RECH SET D APPLIC (FR) 2004-10-13 EP claimed
US-20040176379-A1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2004-09-09 US claimed
EP-1086086-A1 IMIDAZOLYL DERIVATIVES AND THEIR USE AS SOMATOSTATIN RECEPTOR LIGANDS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2001-03-28 EP claimed
WO-1999064401-A2 IMIDAZOLYL DERIVATIVES AND THEIR USE AS SOMATOSTATIN RECEPTOR LIGANDS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES SAS (FR) 1999-12-16 WO claimed
EP-0001663-A1 Novel 2-arylamino-hexahydropyrimidines and -imidazolidines, salts and complexes thereof, method of preparing the novel compounds and fungicidal compositions which contain the novel compounds DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1979-05-02 EP claimed
CN-114007671-B Methods and compositions for treating chronic inflammatory lesions, metaplasias, dysplasias, and cancers of epithelial tissue 休斯敦大学体系 2024-06-14 CN disclosed
US-20220202792-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES UNIVERSITY OF HOUSTON SYSTEM (US) 2022-06-30 US disclosed
EP-0708098-A1 Oxime derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-04-24 EP disclosed
WO-1995014467-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-06-01 WO disclosed
EP-0451948-B1 Heterocyclicacetonitriles and their fungicidal use ROHM & HAAS (US) 1994-12-28 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-10035801-B2 Pyrazolo compounds and uses thereof KDM5A, KDM5C, KDM5B MAOA 1549/4885MAOB 1622/4885ALDH1A1 1424/4885
US-20070299073-A1 Imidazolyl derivatives SSTR5, SSTR3, SSTR2 MAOA 1366/4885MAOB 1126/4885ALDH1A1 2490/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B MAOA 1549/4885MAOB 1622/4885ALDH1A1 1424/4885
US-20040176379-A1 Imidazolyl derivatives SSTR5, SSTR3, SSTR2 MAOA 1371/4885MAOB 1126/4885ALDH1A1 2475/4885
US-20220202792-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES FABP2, MUC1, FABP6 MAOA 3950/4885MAOB 3584/4885ALDH1A1 76/4885
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. GHSR, IGF1R, GIPR MAOA 3541/4885MAOB 2865/4885ALDH1A1 4368/4885

“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.