SCHEMBL4576401

SCHEMBL4576401

Cc1cscc1NC(=S)Nc1ccc(F)cc1N

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
NPC1 O15118 1/20 0.46
HDAC1 Q13547 4/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NOX1 Q9Y5S8 1/20 0.39

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
SCHEMBL2959879 0.89 ALDH1A1 (0.42) ALDH1A1CACNA1BAPBA1NPC1HDAC1
SCHEMBL2953712 0.83 POLB (0.45) ALDH1A1CACNA1BAPBA1NPC1HDAC1
SCHEMBL2947686 0.81 ALDH1A1 (0.51) ALDH1A1NPC1GAAMAPTSMN1; SMN2
SCHEMBL2959960 0.81 ALDH1A1 (0.40) ALDH1A1CACNA1BAPBA1NPC1KMT2A
SCHEMBL2958478 0.80 NPSR1 (0.43) ALDH1A1HDAC1KMT2AMEN1HDAC3
SCHEMBL5635601 0.79 MAPT (0.42) ALDH1A1NPC1KMT2AMEN1GAA
SCHEMBL2951453 0.78 ALDH1A1 (0.43) ALDH1A1CACNA1BAPBA1HDAC1KMT2A
SCHEMBL2951160 0.77 MAPT (0.37) ALDH1A1CACNA1BAPBA1NPC1KMT2A
SCHEMBL2950804 0.73 MAPT (0.36) ALDH1A1CACNA1BAPBA1MAPTL3MBTL1
SCHEMBL2951297 0.72 ALDH1A1 (0.43) ALDH1A1NPC1KMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653259-B2 Process for synthesizing heterocyclic compounds SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2014-02-18 US disclosed
US-20080146797-A1 PROCESS FOR SYNTHESIZING HETEROCYCLIC COMPOUNDS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-06-19 US disclosed
US-20040242560-A1 Process for synthesizing heterocyclic compounds AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-12-02 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-20080146797-A1 PROCESS FOR SYNTHESIZING HETEROCYCLIC COMPOUNDS TST, NISCH, CLIC4 ALDH1A1 406/4885CACNA1B 1508/4885APBA1 2307/4885
US-20040242560-A1 Process for synthesizing heterocyclic compounds TST, NISCH, CLIC4 ALDH1A1 317/4885CACNA1B 1066/4885APBA1 2061/4885

“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.