SCHEMBL3201430

SCHEMBL3201430

CCOC(=O)c1cc2cc(Cl)ccc2n1Cc1cccc(C)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 1/20 0.63
NOD1 Q9Y239 1/20 0.63
CCR2 P41597 9/20 0.58
F10 P00742 3/20 0.57
MAPT P10636 5/20 0.55
TDP1 Q9NUW8 2/20 0.55
KDM4E B2RXH2 2/20 0.55
MAPK1 P28482 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 3/20 0.52
POLB P06746 1/20 0.52
TSHR P16473 1/20 0.52
ATM Q13315 1/20 0.52
PTGS2 P35354 1/20 0.52
THRB P10828 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HPGD P15428 1/20 0.48

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
SCHEMBL12930104 0.92 NOD2 (0.67) NOD2NOD1CCR2F10MAPT
SCHEMBL1503984 0.92 NOD2 (0.67) NOD2NOD1CCR2F10MAPT
SCHEMBL3191922 0.86 CCR2 (0.76) CCR2
SCHEMBL926630 0.86 NOD2 (0.56) NOD2NOD1CCR2F10MAPT
SCHEMBL6782501 0.85 ABCB11 (0.58) NOD2NOD1CCR2F10MAPT
SCHEMBL8692295 0.85 NOD2 (0.58) NOD2NOD1CCR2F10MAPT
SCHEMBL6307843 0.85 NOD2 (0.74) NOD2NOD1CCR2F10MAPT
SCHEMBL1054163 0.85 NOD2 (0.55) NOD2NOD1CCR2F10MAPT
SCHEMBL12930101 0.85 NOD2 (0.67) NOD2NOD1F10MAPTTDP1
SCHEMBL15304632 0.84 NOD2 (0.54) NOD2NOD1CCR2F10MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101151246-B 1-benzylindole-2-carboxamide derivatives ORGANON NV 2011-04-13 CN disclosed
US-7671080-B2 1-benzylindole-2-carboxamide derivatives N.V. ORGANON (NL) 2010-03-02 US disclosed
US-20080280923-A1 1-Benzylindole-2-Carboxamide Derivatives N.V. ORGANON (NL) 2008-11-13 US disclosed
EP-1940788-A1 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES N.V. Organon (NL) 2008-07-09 EP disclosed
CN-101151246-A 1-benzylindole-2-carboxamide derivatives ORGANON NV (NL) 2008-03-26 CN disclosed
WO-2006100208-A9 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES ORGANON NV (NL) 2007-11-22 WO disclosed
WO-2006100208-A1 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2006-09-28 WO 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-20080280923-A1 1-Benzylindole-2-Carboxamide Derivatives CNR2, CNR1, HTR2C NOD2 1643/4885NOD1 719/4885CCR2 830/4885

“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.