SCHEMBL2299394

SCHEMBL2299394

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.44
F10 P00742 2/20 0.44
PRSS1 P07477 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
MCHR1 Q99705 5/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTR2C P28335 1/20 0.43
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
DEGS1 O15121 1/20 0.42
PTPN1 P18031 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
STAT3 P40763 1/20 0.41
PARP1 P09874 1/20 0.41
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 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
SCHEMBL2294478 0.94 NPC1 (0.48) NPC1RAB9ASMN1; SMN2MEN1TP53
SCHEMBL2296016 0.92 NPC1 (0.50) F2F10NR1H4MCHR1NPC1
SCHEMBL2299812 0.92 NPC1 (0.45) NPC1RAB9ASMN1; SMN2MEN1TP53
SCHEMBL2297005 0.91 MAPT (0.49) NPC1RAB9ASMN1; SMN2MEN1TP53
SCHEMBL2292564 0.91 NPC1 (0.51) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL2296047 0.91 NPC1 (0.42) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL2297422 0.91 KMT2A (0.46) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL2295384 0.90 KCNK3 (0.46) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL2296935 0.89 ALDH1A1 (0.46) NR1H4MCHR1NPC1RAB9APOLB
SCHEMBL2297644 0.89 NPC1 (0.48) NR1H4NPC1RAB9AMEN1KMT2A

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 F2 1153/4885F10 120/4885PRSS1 1310/4885

“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.