SCHEMBL2293492

SCHEMBL2293492

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3ccno3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.41
RAB9A P51151 7/20 0.41
PYGM P11217 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
HDAC1 Q13547 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
TP53 P04637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK14 Q16539 1/20 0.39
HTR2A P28223 1/20 0.38
RXFP2 Q8WXD0 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 1/20 0.37
ITK Q08881 2/20 0.37
KDM4E B2RXH2 1/20 0.35
CSF1R P07333 1/20 0.35

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
SCHEMBL2294478 0.85 NPC1 (0.48) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2299723 0.84 GRM4 (0.48) NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2299591 0.84 MAPT (0.52) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2295384 0.83 KCNK3 (0.46) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2298619 0.82 RAB9A (0.52) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2292264 0.82 NPC1 (0.44) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2299394 0.82 F2 (0.44) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2295598 0.82 MEN1 (0.43) NPC1RAB9AKMT2AMEN1KDM4C
SCHEMBL2299812 0.82 NPC1 (0.45) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2294482 0.81 NAMPT (0.48) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US claimed
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP claimed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US claimed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO claimed

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-20060116383-A1 Integrin antagonists useful as anticancer agents ITGB5, ITGA5, ITGB1 NPC1 2770/4885RAB9A 1893/4885PYGM 1097/4885

“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.