SCHEMBL2294191

SCHEMBL2294191

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)C(O)c3ccccc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
BAZ1A Q9NRL2 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ROCK2 O75116 1/20 0.38
NOTUM Q6P988 2/20 0.37
HDAC8 Q9BY41 1/20 0.37
EIF2S1 P05198 1/20 0.37
EIF2AK3 Q9NZJ5 1/20 0.37
NTRK1 P04629 1/20 0.36
PRMT3 O60678 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GLS O94925 4/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 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
SCHEMBL2300786 0.92 RAB9A (0.45) NPC1RAB9ALMNASMN1; SMN2ROCK2
SCHEMBL2292578 0.90 KDM4E (0.44) NPC1RAB9ABAZ1ALMNASMN1; SMN2
SCHEMBL2292264 0.87 NPC1 (0.44) NPC1RAB9ALMNASMN1; SMN2NOTUM
SCHEMBL2294478 0.86 NPC1 (0.48) NPC1RAB9ALMNASMN1; SMN2KMT2A
SCHEMBL2294482 0.84 NAMPT (0.48) NPC1RAB9ALMNASMN1; SMN2ROCK2
SCHEMBL2298674 0.84 FFAR1 (0.49) LMNASMN1; SMN2KMT2AGAAMAPT
SCHEMBL2292306 0.84 GFER (0.42) NPC1RAB9ABAZ1ALMNASMN1; SMN2
SCHEMBL2299775 0.83 HTR1E (0.53) LMNAKMT2AMAPTCYP3A4CYP2D6
SCHEMBL2299723 0.83 GRM4 (0.48) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5302818 0.83 NAMPT (0.40) NPC1RAB9ALMNASMN1; SMN2NOTUM

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 1893/4885BAZ1A 1738/4885

“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.