SCHEMBL2296016

SCHEMBL2296016

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.50
RAB9A P51151 10/20 0.50
SMN1; SMN2 Q16637 5/20 0.47
TP53 P04637 3/20 0.47
LMNA P02545 1/20 0.45
HTR2C P28335 1/20 0.45
MCHR1 Q99705 1/20 0.45
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
DEGS1 O15121 1/20 0.42
PTPN1 P18031 1/20 0.41
POLB P06746 1/20 0.41
STAT3 P40763 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 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
SCHEMBL2295674 0.94 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2294143 0.92 NPC1 (0.53) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2299394 0.92 F2 (0.44) NPC1RAB9ASMN1; SMN2TP53HTR2C
SCHEMBL2296419 0.91 NPC1 (0.49) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2299737 0.91 NPC1 (0.49) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2294968 0.91 NPC1 (0.59) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2296039 0.91 NPC1 (0.52) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2292746 0.90 RAB9A (0.50) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2292563 0.89 RAB9A (0.50) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2298233 0.89 NPC1 (0.55) 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 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.