SCHEMBL2293659

SCHEMBL2293659

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)c3c[nH]c4ccccc34)ccc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.45
MAOB P27338 1/20 0.43
NR2E1 Q9Y466 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
EDNRA P25101 1/20 0.42
SCN4A P35499 1/20 0.42
SCN9A Q15858 1/20 0.42
SCN3A Q9NY46 1/20 0.42
CFTR P13569 7/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL2294585 0.93 HTR2C (0.45) HTR2CMAOBNR2E1PTGDR2HRH3
SCHEMBL5284614 0.86 NR1I2 (0.46) HRH3EDNRARAB9ALMNAMEN1
SCHEMBL2299363 0.84 MAPT (0.47) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL2298509 0.84 NR1H4 (0.47) NR2E1PTGDR2EDNRANPC1RAB9A
SCHEMBL2292791 0.83 MAPT (0.54) LMNAMEN1KMT2A
SCHEMBL2295353 0.83 RAB9A (0.45) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL2295816 0.83 RAB9A (0.45) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL2297649 0.83 NPC1 (0.42) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL2295674 0.83 NPC1 (0.56) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL2296926 0.82 KMT2A (0.49) NPC1RAB9ALMNASMN1; SMN2MEN1

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 HTR2C 4544/4885MAOB 4454/4885NR2E1 1090/4885

“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.