SCHEMBL2297649

SCHEMBL2297649

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)c3ccc(F)c4ccccc34)ccc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.42
RAB9A P51151 11/20 0.42
SMN1; SMN2 Q16637 7/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 3/20 0.38
TP53 P04637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NR1I2 O75469 2/20 0.36
HTT P42858 1/20 0.36
CXCR5 P32302 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 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
SCHEMBL2296917 0.93 SMN1; SMN2 (0.39) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL2298509 0.87 NR1H4 (0.47) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL2295816 0.84 RAB9A (0.45) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL2295353 0.84 RAB9A (0.45) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL2295674 0.83 NPC1 (0.56) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL2296926 0.83 KMT2A (0.49) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL2295817 0.83 FADS1 (0.46) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL2296307 0.83 NPC1 (0.46) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL2293659 0.83 HTR2C (0.45) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL2296510 0.83 TMPRSS4 (0.50) NPC1RAB9ASMN1; SMN2LMNATP53

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-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US claimed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US 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.