SCHEMBL2295834

SCHEMBL2295834

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)c3ccc(Br)o3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
ALDH1A1 P00352 7/20 0.52
TP53 P04637 6/20 0.52
TSHR P16473 5/20 0.52
POLB P06746 4/20 0.52
KDM4E B2RXH2 4/20 0.52
HSD17B10 Q99714 4/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
RAB9A P51151 10/20 0.48
NPC1 O15118 7/20 0.48
HPGD P15428 5/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 7/20 0.46
LMNA P02545 6/20 0.46
TDP1 Q9NUW8 2/20 0.46
GRM4 Q14833 1/20 0.45
USP2 O75604 2/20 0.44
MAPK1 P28482 2/20 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
SCHEMBL2299591 0.93 MAPT (0.52) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL2295674 0.84 NPC1 (0.56) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL2296307 0.84 NPC1 (0.46) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL2296419 0.84 NPC1 (0.49) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL2299814 0.82 LMNA (0.45) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL2292563 0.82 RAB9A (0.50) MAPTMEN1KMT2ATP53RAB9A
SCHEMBL2298695 0.82 RAB9A (0.48) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL2292549 0.82 GRM4 (0.48) MAPTALDH1A1KDM4ERAB9ANPC1
SCHEMBL2296222 0.81 RAB9A (0.42) MEN1KMT2AALDH1A1TP53KDM4E
SCHEMBL5286971 0.81 RAB9A (0.42) MEN1KMT2AALDH1A1TP53POLB

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 MAPT 4745/4885MEN1 2656/4885KMT2A 3680/4885

“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.