SCHEMBL2296935

SCHEMBL2296935

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
TRPV1 Q8NER1 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
POLB P06746 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
MCHR1 Q99705 1/20 0.42
AURKA O14965 1/20 0.42
KDR P35968 1/20 0.42
AURKB Q96GD4 1/20 0.42
GAA P10253 1/20 0.42
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41

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
SCHEMBL2295869 0.93 NPC1 (0.50) ALDH1A1LMNAHPGDNPC1RAB9A
SCHEMBL2299632 0.92 KCNK3 (0.51) ALDH1A1LMNARAB9AMEN1KMT2A
SCHEMBL2299938 0.92 NPC1 (0.42) ALDH1A1LMNAHPGDNPC1RAB9A
SCHEMBL2294478 0.91 NPC1 (0.48) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL2297644 0.91 NPC1 (0.48) NPC1RAB9ATRPV1MEN1KMT2A
SCHEMBL2295384 0.89 KCNK3 (0.46) ALDH1A1LMNAHPGDNPC1RAB9A
SCHEMBL2299812 0.89 NPC1 (0.45) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL2299394 0.89 F2 (0.44) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2292564 0.89 NPC1 (0.51) ALDH1A1LMNAHPGDNPC1RAB9A
SCHEMBL2296047 0.89 NPC1 (0.42) LMNANPC1RAB9AMEN1KMT2A

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 ALDH1A1 1381/4885LMNA 1740/4885HPGD 2856/4885

“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.