SCHEMBL6164218

SCHEMBL6164218

CCOC(=O)CC(C)c1ccc(NC(=O)Cc2cc(C)c3nc(Nc4ccccc4C)oc3c2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.36
ITGA4 P13612 6/20 0.36
ITGB1 P05556 5/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
POLB P06746 3/20 0.35
ATM Q13315 1/20 0.35
TP53 P04637 3/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.34
HSD17B10 Q99714 2/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CEPT1 Q9Y6K0 1/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL6160961 0.91 ITGA4 (0.45) RAB9AITGA4ITGB1KMT2AMEN1
SCHEMBL6163097 0.90 ITGA4 (0.44) RAB9AITGA4ITGB1KMT2AMEN1
SCHEMBL6163082 0.80 ITGA4 (0.47) RAB9AITGA4ITGB1POLBTP53
SCHEMBL7702288 0.80 ITGB1 (0.59) RAB9AITGA4ITGB1HPGD
SCHEMBL5690943 0.80 ITGB1 (0.59) RAB9AITGA4ITGB1HPGD
SCHEMBL6165805 0.76 ITGB1 (0.42) ITGA4ITGB1KMT2AMEN1POLB
SCHEMBL5692089 0.74 ITGB1 (0.56) RAB9AITGA4ITGB1TP53NPC1
SCHEMBL5691018 0.74 ITGB1 (0.56) RAB9AITGA4ITGB1TP53NPC1
SCHEMBL6164253 0.74 ITGA4 (0.43) ITGA4ITGB1TP53SMN1; SMN2MAPT
SCHEMBL5692264 0.73 ITGB1 (0.63) ITGA4ITGB1KMT2AMEN1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183254-B1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS INTEGRIN ANTAGONISTS AVENTIS PHARMA LTD (GB) 2005-01-12 EP disclosed
US-6706738-B2 ANTIARTHRITIC AGENTS; ANTIINFLAMMATORY AGENTS AVENTIS PHARMA LIMITED (GB) 2004-03-16 US disclosed
US-20020173506-A1 Substituted bicyclic heteroaryl compounds and their use as integrin antagonists AVENTIS PHARMA LIMITED (GB) 2002-11-21 US 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-20020173506-A1 Substituted bicyclic heteroaryl compounds and their use as integrin antagonists VCAM1, ITGA4, ITGA1 RAB9A 3747/4885ITGA4 2/4885ITGB1 5/4885

“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.