SCHEMBL2298615

SCHEMBL2298615

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)c3ccc(Br)cc3Cl)ccc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.42
NPC1 O15118 8/20 0.41
RAB9A P51151 8/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 1/20 0.41
NR1I2 O75469 3/20 0.41
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
HDAC1 Q13547 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TP53 P04637 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.37
CYP2C19 P33261 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
SCHEMBL2293976 0.93 PTGDR2 (0.42) PTGDR2NPC1RAB9AITGB1ITGA4
SCHEMBL2294509 0.89 TRPV1 (0.48) PTGDR2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2296222 0.89 RAB9A (0.42) NPC1RAB9ASMN1; SMN2LMNAHDAC1
SCHEMBL2296419 0.86 NPC1 (0.49) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL2296307 0.86 NPC1 (0.46) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL2298695 0.84 RAB9A (0.48) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL5288993 0.84 PTGS1 (0.49)
SCHEMBL2296510 0.84 TMPRSS4 (0.50) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL2295816 0.83 RAB9A (0.45) NPC1RAB9ASMN1; SMN2LMNANR1I2
SCHEMBL2295353 0.83 RAB9A (0.45) NPC1RAB9ASMN1; SMN2LMNAMEN1

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 PTGDR2 916/4885NPC1 2770/4885RAB9A 1893/4885

“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.