SCHEMBL2300670

SCHEMBL2300670

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.49
RAB9A P51151 13/20 0.49
SMN1; SMN2 Q16637 7/20 0.44
TP53 P04637 5/20 0.44
LMNA P02545 2/20 0.42
TRPV1 Q8NER1 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MLYCD O95822 2/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL2299938 0.93 NPC1 (0.42) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2295869 0.92 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2295674 0.90 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL5298078 0.89 NPC1 (0.48) NPC1RAB9ASMN1; SMN2TP53TRPV1
SCHEMBL2294143 0.89 NPC1 (0.53) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2296016 0.89 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2298233 0.88 NPC1 (0.55) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2296419 0.88 NPC1 (0.49) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2294968 0.88 NPC1 (0.59) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2296039 0.88 NPC1 (0.52) NPC1RAB9ASMN1; SMN2TP53LMNA

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 1893/4885SMN1; SMN2 2159/4885

“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.