SCHEMBL2294585

SCHEMBL2294585

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3c[nH]c4ccccc34)cc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.45
MAOB P27338 1/20 0.43
CFTR P13569 8/20 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
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40

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
SCHEMBL2293659 0.93 HTR2C (0.45) HTR2CMAOBCFTRNR2E1PTGDR2
SCHEMBL2298363 0.86 ANO1 (0.46) HRH3EDNRAMEN1KMT2A
SCHEMBL2294694 0.84 MAPT (0.47) MEN1KMT2A
SCHEMBL2295379 0.84 NR1H4 (0.47) NR2E1PTGDR2EDNRAMEN1KMT2A
SCHEMBL2295598 0.83 MEN1 (0.43) MEN1KMT2A
SCHEMBL2296917 0.83 SMN1; SMN2 (0.39) MEN1KMT2A
SCHEMBL2294478 0.83 NPC1 (0.48) MEN1KMT2A
SCHEMBL2298688 0.82 NPC1 (0.48) MEN1KMT2A
SCHEMBL2294479 0.82 FADS1 (0.46)
SCHEMBL2297504 0.82 FFAR1 (0.48) MEN1KMT2A

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 HTR2C 4544/4885MAOB 4454/4885CFTR 1064/4885

“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.