SCHEMBL2296473

SCHEMBL2296473

CC(=O)NCC(=O)Nc1ccc2ncn(C(CC(=O)O)c3ccccc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
CYP2C9 P11712 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 1/20 0.42
NOTUM Q6P988 2/20 0.41
KMT2A Q03164 3/20 0.40
HTT P42858 1/20 0.39
MEN1 O00255 2/20 0.38
PKM P14618 1/20 0.38
MCHR1 Q99705 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL2295362 0.87 SMN1; SMN2 (0.43) ALDH1A1POLBKDM4EHPGDSMN1; SMN2
SCHEMBL2294482 0.85 NAMPT (0.48) ALDH1A1KDM4EGAAHSD17B10SMN1; SMN2
SCHEMBL2292264 0.83 NPC1 (0.44) ALDH1A1POLBKDM4ESMN1; SMN2NPC1
SCHEMBL2299138 0.83 NOTUM (0.46) SMN1; SMN2NPC1RAB9ALMNANOTUM
SCHEMBL5289381 0.83 ITGB1 (0.44) KDM4ESMN1; SMN2NPC1RAB9ANOTUM
SCHEMBL2292578 0.83 KDM4E (0.44) ALDH1A1POLBKDM4ESMN1; SMN2NPC1
SCHEMBL2294478 0.83 NPC1 (0.48) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL2297422 0.82 KMT2A (0.46) ALDH1A1POLBKDM4EHPGDCYP2C9
SCHEMBL2294191 0.82 NPC1 (0.38) CYP2C9GAASMN1; SMN2NPC1RAB9A
SCHEMBL2298594 0.82 KMT2A (0.46) ALDH1A1KDM4EHPGDNPC1RAB9A

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 ALDH1A1 1381/4885POLB 4465/4885KDM4E 1654/4885

“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.