SCHEMBL13629728

SCHEMBL13629728

CC(=O)CSc1nc2ccccc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 1.00
POLB P06746 3/20 0.77
APEX1 P27695 1/20 0.77
RECQL P46063 1/20 0.77
ALOX5 P09917 2/20 0.70
ALDH1A1 P00352 7/20 0.67
HPGD P15428 6/20 0.67
CYP1A2 P05177 3/20 0.63
MAPK1 P28482 3/20 0.63
CYP2D6 P10635 2/20 0.63
CYP3A4 P08684 2/20 0.63
CYP2C19 P33261 2/20 0.63
HIF1A Q16665 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
SMN1; SMN2 Q16637 5/20 0.62
HSD17B10 Q99714 3/20 0.62
TSHR P16473 1/20 0.62
NPC1 O15118 4/20 0.62
RAB9A P51151 3/20 0.62
KMT2A Q03164 2/20 0.61

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
SCHEMBL1286369 0.86 POLB (0.79) MAPTPOLBAPEX1RECQLALOX5
Benzene SCHEMBL28322799 0.86 POLB (0.79) MAPTPOLBAPEX1RECQLALOX5
SCHEMBL13461102 0.85 POLB (0.83) MAPTPOLBAPEX1RECQLALOX5
SCHEMBL13629729 0.85 SMN1; SMN2 (0.76) MAPTPOLBAPEX1RECQLALOX5
SCHEMBL2261407 0.84 POLB (0.77) MAPTPOLBAPEX1RECQLALOX5
SCHEMBL28820663 0.84 MAPT (0.73) MAPTPOLBAPEX1RECQLALOX5
SCHEMBL29881713 0.84 MAPT (0.73) MAPTPOLBAPEX1RECQLALOX5
SCHEMBL5401249 0.84 POLB (0.77) MAPTPOLBAPEX1RECQLALOX5
SCHEMBL10759558 0.84 MAPT (0.72) MAPTPOLBAPEX1RECQLALOX5
SCHEMBL11266496 0.84 MAPT (0.72) MAPTPOLBAPEX1RECQLALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192614-A1 METHOD FOR PREPARATION OF TRANS-N-BENZYLOXYCARBONYL-(3-HYDROXY-2-PIPERIDINYL)-2-PROPANONE AS INTERMEDIATE OF HALOFUGINONE CHENGDA PHARMACEUTICALS CO., LTD. (CN) 2023-06-22 US disclosed
US-20230192614-A1 METHOD FOR PREPARATION OF TRANS-N-BENZYLOXYCARBONYL-(3-HYDROXY-2-PIPERIDINYL)-2-PROPANONE AS INTERMEDIATE OF HALOFUGINONE CHENGDA PHARMACEUTICALS CO., LTD. (CN) 2023-06-22 US disclosed
WO-2023065610-A1 PREPARATION METHOD FOR HALOFUGINONE INTERMEDIATE TRANS-N-BENZYLOXYCARBONYL-(3-HYDROXY-2-PIPERIDINYL)-2-ACETONE 诚达药业股份有限公司 2023-04-27 WO disclosed
US-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20090221559-A1 BENZODIAZEPINES AS HCV INHIBITORS BONFANTI JEAN-FRANCOIS 2009-09-03 US disclosed
US-20090221559-A1 BENZODIAZEPINES AS HCV INHIBITORS BONFANTI JEAN-FRANCOIS 2009-09-03 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-20230192614-A1 METHOD FOR PREPARATION OF TRANS-N-BENZYLOXYCARBONYL-(3-HYDROXY-2-PIPERIDINYL)-2-PROPANONE AS INTERMEDIATE OF HALOFUGINONE TALDO1, RPL22, RPS20 MAPT 4724/4885POLB 1151/4885APEX1 3308/4885
US-20090221559-A1 BENZODIAZEPINES AS HCV INHIBITORS GABRA5, GABRA4, GABRA3 MAPT 1578/4885POLB 969/4885APEX1 4452/4885

“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.