SCHEMBL315313

SCHEMBL315313

O=C(O)c1ccc(CSc2ccccn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 1.00
ALDH1A1 P00352 7/20 0.71
HPGD P15428 6/20 0.71
MAPT P10636 5/20 0.71
NPC1 O15118 5/20 0.71
RAB9A P51151 5/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
HDAC1 Q13547 1/20 0.61
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.55
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
APEX1 P27695 1/20 0.51
CYP2C9 P11712 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL20202250 0.86 POLB (0.76) POLBALDH1A1HPGDMAPTNPC1
SCHEMBL16938383 0.85 POLB (0.74) POLBALDH1A1HPGDMAPTNPC1
SCHEMBL31005447 0.85 POLB (0.74) POLBALDH1A1HPGDMAPTNPC1
SCHEMBL400161 0.83 POLB (0.70) POLBALDH1A1HPGDMAPTNPC1
SCHEMBL1020745 0.82 POLB (0.70) POLBALDH1A1HPGDMAPTNPC1
SCHEMBL1750521 0.82 POLB (0.69) POLBALDH1A1HPGDMAPTNPC1
SCHEMBL19717836 0.81 POLB (0.68) POLBALDH1A1HPGDMAPTNPC1
SCHEMBL16520814 0.80 POLB (0.67) POLBALDH1A1HPGDMAPTNPC1
SCHEMBL15544954 0.80 POLB (0.66) POLBALDH1A1HPGDMAPTNPC1
SCHEMBL6205843 0.79 POLB (0.65) POLBALDH1A1HPGDMAPTNPC1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4409227-A HYPOGLYCEMIC AGENTS THE DOW CHEMICAL CO. (US) 1983-10-11 US claimed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
EP-1701959-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2006-09-20 EP disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 WO disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 US disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 US disclosed
US-4409227-A HYPOGLYCEMIC AGENTS THE DOW CHEMICAL CO. (US) 1983-10-11 US disclosed
US-4325959-A Hypoglycemic 4-(((1,3,4, thiadiazolyl)thio)methyl)benzoic acids, ester and amides THE DOW CHEMICAL COMPANY (US) 1982-04-20 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 (4 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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 POLB 1621/4885ALDH1A1 286/4885HPGD 21/4885
US-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 POLB 2941/4885ALDH1A1 2650/4885HPGD 350/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 POLB 1617/4885ALDH1A1 374/4885HPGD 13/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 POLB 3375/4885ALDH1A1 2031/4885HPGD 486/4885

“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.