SCHEMBL2292264

SCHEMBL2292264

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)Nc3ccccc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.44
RAB9A P51151 7/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
AURKA O14965 1/20 0.43
KDR P35968 1/20 0.43
AURKB Q96GD4 1/20 0.43
NR1I2 O75469 1/20 0.40
LMNA P02545 3/20 0.39
ITGB1 P05556 2/20 0.39
ITGA4 P13612 2/20 0.39
ATM Q13315 2/20 0.39
PRMT3 O60678 1/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL2296252 0.91 NR1I2 (0.47) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL2296670 0.91 NR1I2 (0.47) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL2293498 0.89 NPC1 (0.41) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL2294478 0.88 NPC1 (0.48) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL2292578 0.88 KDM4E (0.44) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL2294191 0.87 NPC1 (0.38) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL2294482 0.86 NAMPT (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1AURKA
SCHEMBL2299723 0.85 GRM4 (0.48) NPC1RAB9ASMN1; SMN2MAPTKDR
SCHEMBL5302818 0.85 NAMPT (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1NR1I2
SCHEMBL5299923 0.85 NR1I2 (0.44) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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 6 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 disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US disclosed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO disclosed

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.