SCHEMBL2296419

SCHEMBL2296419

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)c3ccc(Br)cc3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.49
RAB9A P51151 10/20 0.49
MAPT P10636 2/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
TP53 P04637 4/20 0.46
CYP24A1 Q07973 1/20 0.45
LMNA P02545 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL2295674 0.93 NPC1 (0.56) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL2297005 0.92 MAPT (0.49) NPC1RAB9AMAPTSAE1UBA2
SCHEMBL2294143 0.91 NPC1 (0.53) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL2296016 0.91 NPC1 (0.50) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2298695 0.90 RAB9A (0.48) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL2299737 0.90 NPC1 (0.49) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL2294968 0.90 NPC1 (0.59) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL2296039 0.90 NPC1 (0.52) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL2292746 0.89 RAB9A (0.50) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL5300027 0.89 KMT2A (0.48) NPC1RAB9AMAPTKMT2AMEN1

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 1893/4885MAPT 4745/4885

“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.