SCHEMBL2292853

SCHEMBL2292853

COc1ccc(C(=O)Nc2ccc3c(c2)ncn3C(CC(=O)O)c2ccccc2)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
MAPT P10636 7/20 0.46
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
TP53 P04637 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
RAB9A P51151 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
PRNP P04156 1/20 0.46
HPSE Q9Y251 3/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 2/20 0.44
ADRA2B P18089 1/20 0.44

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
SCHEMBL2297445 0.93 ALDH1A1 (0.47) ALDH1A1GAAPKMMAPTKMT2A
SCHEMBL2299767 0.87 SMN1; SMN2 (0.51) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL5301613 0.87 PRNP (0.47) ALDH1A1MAPTTP53RAB9AL3MBTL1
SCHEMBL2296419 0.86 NPC1 (0.49) ALDH1A1MAPTKMT2AMEN1TP53
SCHEMBL2297333 0.85 ADRA2B (0.49) ALDH1A1MAPTTP53RAB9AL3MBTL1
SCHEMBL2295674 0.84 NPC1 (0.56) ALDH1A1MAPTKMT2AMEN1TP53
SCHEMBL2298695 0.84 RAB9A (0.48) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL2296039 0.84 NPC1 (0.52) ALDH1A1MAPTKMT2AMEN1TP53
SCHEMBL2294968 0.84 NPC1 (0.59) ALDH1A1MAPTKMT2AMEN1TP53
SCHEMBL2358248 0.83 SMN1; SMN2 (0.45) ALDH1A1MAPTKMT2AMEN1RXFP1

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 ALDH1A1 1381/4885GAA 2086/4885PKM 3770/4885

“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.