SCHEMBL6034337

SCHEMBL6034337

CC(C)CCNC(=O)c1sccc1Br

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPK1 P28482 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
CNR1 P21554 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
ERCC1 P07992 1/20 0.40
FEN1 P39748 1/20 0.40
ERCC4 Q92889 1/20 0.40
GAA P10253 1/20 0.40
PANK3 Q9H999 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL6360975 0.83 L3MBTL1 (0.47) HPGDPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL13753327 0.79 POLB (0.46) HPGDPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL13753378 0.76 POLB (0.46) POLBSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL6160932 0.75 HPGD (0.43) HPGDPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL1621503 0.75 POLB (0.43) HPGDPOLBSMN1; SMN2MAPK1MEN1
SCHEMBL1346566 0.73 ALDH1A1 (0.49) POLBSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL2210472 0.72 HPGD (0.62) HPGDSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL31469598 0.72 KDM4E (0.68) HPGDPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL18193848 0.71 NPC1 (0.67) HPGDSMN1; SMN2NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL9825967 0.71 KDM4E (0.48) HPGDPOLBNPC1RAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982279-B2 Arylated furan- and thiophenecarboxamides, processes for their preparation, their use as medicaments, and pharmaceutical preparations comprising them AVENTIS PHARM DEUTSCHLAND GMBH (DE) 2006-01-03 US disclosed
US-20040068120-A1 Arylated furan- and thiophenecarboxamides, processes for their preparation, their use as medicaments, and pharmaceutical preparations comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-04-08 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 (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-20040068120-A1 Arylated furan- and thiophenecarboxamides, processes for their preparation, their use as medicaments, and pharmaceutical preparations comprising them RYR2, CYP4B1, CYP2E1 HPGD 1703/4885POLB 3566/4885SMN1; SMN2 4620/4885

“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.