SCHEMBL2500895

SCHEMBL2500895

O=C1Nc2ccc(Cl)cc2C1(O)c1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.50
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
BRD4 O60885 2/20 0.46
USP2 O75604 1/20 0.46
F2 P00734 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
IDO1 P14902 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
CASP6 P55212 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
SCHEMBL4597267 0.83 POLB (0.55) SCN9AMEN1KMT2APOLBCASP6
SCHEMBL2492740 0.78 IDO1 (0.41) SCN9AALDH1A1SMN1; SMN2BRD4USP2
SCHEMBL2497407 0.76 BRD4 (0.52) BRD4IDO1MEN1KMT2APOLB
SCHEMBL2496770 0.75 POLB (0.49) ALDH1A1BRD4IDO1MEN1KMT2A
SCHEMBL16108033 0.75 BRD4 (0.73) BRD4
SCHEMBL2498528 0.73 BRD4 (0.57) SCN9ABRD4IDO1MEN1KMT2A
SCHEMBL12164907 0.72 SCN9A (0.47) SCN9A
SCHEMBL4590472 0.70 CBX7 (0.52) BRD4IDO1MEN1KMT2APOLB
SCHEMBL2499643 0.70 CDYL (0.60) SCN9ABRD4IDO1MEN1KMT2A
SCHEMBL27529257 0.70 IDO1 (0.49) ALDH1A1BRD4IDO1MEN1KMT2A

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-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-25 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-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 SCN9A 3234/4885ALDH1A1 2628/4885SMN1; SMN2 2982/4885

“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.