SCHEMBL2296479

SCHEMBL2296479

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3cc(O)ccc3O)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SNCA P37840 1/20 0.37
HDAC3 O15379 1/20 0.37
EGFR P00533 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
P2RX1 P51575 1/20 0.36
TMPRSS4 Q9NRS4 2/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL2297522 0.93 RAB9A (0.44) NPC1RAB9ALMNASMN1; SMN2SNCA
SCHEMBL2295598 0.91 MEN1 (0.43) NPC1RAB9ALMNASMN1; SMN2P2RX1
SCHEMBL2297569 0.91 TMPRSS4 (0.49) P2RX1TMPRSS4
SCHEMBL2297513 0.91 PLAU (0.41) NPC1RAB9ALMNASMN1; SMN2HDAC3
SCHEMBL5279323 0.89 OPRL1 (0.37) NPC1RAB9ALMNASMN1; SMN2HDAC3
SCHEMBL2297360 0.88 MEN1 (0.44) NPC1RAB9ALMNASMN1; SMN2P2RX1
SCHEMBL2291245 0.87 RAB9A (0.38) NPC1RAB9ALMNASMN1; SMN2HDAC8
SCHEMBL2295353 0.85 RAB9A (0.45) NPC1RAB9ALMNASMN1; SMN2KMT2A
SCHEMBL2294746 0.85 PLG (0.43) NPC1RAB9ALMNASMN1; SMN2KMT2A
SCHEMBL2294478 0.85 NPC1 (0.48) NPC1RAB9ALMNASMN1; SMN2KMT2A

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 1893/4885LMNA 1740/4885

“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.