SCHEMBL3277209

SCHEMBL3277209

O=C(S)Nc1nc2c(s1)C(=O)CCC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
NPC1 O15118 5/20 0.63
RAB9A P51151 4/20 0.63
TP53 P04637 2/20 0.63
POLB P06746 1/20 0.63
MAPK1 P28482 2/20 0.50
GRM5 P41594 1/20 0.43
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
TSHR P16473 1/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HSD17B10 Q99714 1/20 0.38
RORC P51449 1/20 0.37
DHODH Q02127 1/20 0.37

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
SCHEMBL3273226 0.86 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL172155 0.84 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL1118025 0.82 TSHR (0.62) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL1771243 0.81 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL3277212 0.81 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL1118053 0.81 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL1782693 0.81 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL691361 0.79 TSHR (0.67) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
Bromide SCHEMBL7480303 0.79 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL6067925 0.79 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2NPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207349-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-06 US disclosed
US-7691888-B2 Thiazolyl-dihydro-indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-06 US disclosed
US-20060100254-A1 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 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 (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-20060100254-A1 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases CDK1, MAPK1, NFATC1 ALDH1A1 1013/4885SMN1; SMN2 3431/4885NPC1 920/4885
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES MKI67, CYP11B1, IGF1R ALDH1A1 41/4885SMN1; SMN2 1337/4885NPC1 118/4885

“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.