SCHEMBL2297522

SCHEMBL2297522

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)c3cc(O)ccc3O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.44
NPC1 O15118 10/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SNCA P37840 1/20 0.38
NR1I2 O75469 1/20 0.37
HDAC3 O15379 1/20 0.37
EGFR P00533 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL2296479 0.93 NPC1 (0.39) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL2295353 0.92 RAB9A (0.45) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL2296510 0.91 TMPRSS4 (0.50) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL2296222 0.91 RAB9A (0.42) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL2295278 0.87 MEN1 (0.45) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL2292725 0.87 RAB9A (0.44) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL2295816 0.86 RAB9A (0.45) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL2297464 0.86 RAB9A (0.44) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL2295674 0.86 NPC1 (0.56) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL5292979 0.86 RAB9A (0.43) RAB9ANPC1SMN1; SMN2LMNAKDM4E

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 RAB9A 1893/4885NPC1 2770/4885SMN1; 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.