SCHEMBL3852220

SCHEMBL3852220

Clc1cc(Cl)c2ncsc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
RAB9A P51151 4/20 0.38
HSD17B10 Q99714 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 3/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.36
POLB P06746 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HTT P42858 2/20 0.33
HSD11B1 P28845 1/20 0.33
RIPK1 Q13546 1/20 0.33
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
RECQL P46063 2/20 0.32
GRM4 Q14833 1/20 0.32
FBP1 P09467 1/20 0.32
MEN1 O00255 2/20 0.30

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
SCHEMBL22242090 0.79 RIPK1 (0.37) HSD17B10RIPK1
SCHEMBL20600737 0.79 RIPK1 (0.34) RIPK1
SCHEMBL18876146 0.79 HSD11B1 (0.35) ALDH1A1RAB9ANPC1HSD11B1RIPK1
Ammonia Solution, Strong SCHEMBL28632131 0.78 HSD11B1 (0.34) ALDH1A1RAB9ANPC1HSD11B1ADORA3
SCHEMBL23408299 0.75 RIPK1 (0.33) RIPK1
SCHEMBL20666272 0.75 RIPK1 (0.33) RAB9ASMN1; SMN2NPC1RIPK1
SCHEMBL20674879 0.75 NPC1 (0.33) RAB9ASMN1; SMN2NPC1RIPK1MEN1
SCHEMBL24347829 0.75 RIPK1 (0.33) RIPK1KDM4E
SCHEMBL20600798 0.75 TTR (0.34) RIPK1TTR
SCHEMBL30798871 0.75 GLRA3 (0.36) ALDH1A1SMN1; SMN2NPC1MAPTCYP3A4

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-7576098-B2 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-18 US disclosed
EP-1828152-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA BRISTOL MYERS SQUIBB CO (US) 2008-08-20 EP disclosed
EP-1828152-A2 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA Bristol-Myers Squibb Company (US) 2007-09-05 EP disclosed
US-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 US disclosed
WO-2006062972-A2 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-15 WO disclosed
US-5888940-A DESICCATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-30 US disclosed
CN-1194645-A Substituted benzothiazols with herbicidal action BASF AG (DE) 1998-09-30 CN disclosed
EP-0862569-A1 SUBSTITUTED BENZOTHIAZOLS WITH HERBICIDAL ACTION BASF AKTIENGESELLSCHAFT (DE) 1998-09-09 EP disclosed
WO-1997008171-A1 SUBSTITUTED BENZOTHIAZOLS WITH HERBICIDAL ACTION BASF AKTIENGESELLSCHAFT (DE) 1997-03-06 WO disclosed
EP-0249009-B1 MONOAZO COLORANTS MITSUBISHI KASEI CORPORATION (JP) 1991-07-03 EP disclosed
US-4960871-A Fiber-reactive halotriazine pyridine-based monoazo colorant MITSUBISHI CHEMICAL INDUSTRIES INC. (JP) 1990-10-02 US disclosed
EP-0385676-A1 Biocidal compositions and treatments Albright & Wilson Limited (GB) 1990-09-05 EP disclosed
EP-0249009-A2 Monoazo colorants MITSUBISHI KASEI CORPORATION (JP) 1987-12-16 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 (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-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa TFPI, F7, HABP2 ALDH1A1 3937/4885RAB9A 1180/4885HSD17B10 1836/4885

“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.