SCHEMBL830576

SCHEMBL830576

CCOC(=O)c1cc2cc(F)ccc2n1CCOc1ccc(C)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 3/20 0.45
NOD1 Q9Y239 3/20 0.45
KDM4E B2RXH2 5/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ELANE P08246 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
F10 P00742 1/20 0.39
LMNA P02545 1/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL3114834 0.89 ALDH1A1 (0.50) KDM4EPTGDR2ALDH1A1HPGDHSD17B10
SCHEMBL829865 0.89 PTGDR2 (0.41) NOD2NOD1KDM4ECRHBPCRHR2
SCHEMBL21647437 0.83 KDM4E (0.49) NOD2NOD1KDM4ECRHBPCRHR2
SCHEMBL3619345 0.83 NOD2 (0.52) NOD2NOD1KDM4ECRHBPCRHR2
SCHEMBL21647472 0.80 KDM4E (0.51) NOD2NOD1KDM4ECRHBPCRHR2
SCHEMBL7751603 0.79 NOD2 (0.50) NOD2NOD1KDM4ECRHBPCRHR2
SCHEMBL830229 0.78 KDM4E (0.49) NOD2NOD1KDM4ECRHBPCRHR2
SCHEMBL829866 0.78 KDM4E (0.41) NOD2NOD1KDM4ECRHBPCRHR2
SCHEMBL3566463 0.77 NOD2 (0.49) NOD2NOD1KDM4ECRHBPCRHR2
SCHEMBL3110734 0.76 NTRK1 (0.48) KDM4EPTGDR2ALDH1A1HPGDHSD17B10

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-8288376-B2 Tricyclic N-heteroaryl-carboxamide derivatives containing a benzimidazole unit, method for preparing same and their therapeutic use SANOFI (FR) 2012-10-16 US disclosed
US-20120122852-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2012-05-17 US disclosed
US-8143248-B2 Tricyclic N-heteroaryl-carboxamide derivatives containing a benzimidazole unit, method for preparing same and their therapeutic use SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2009-02-12 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 (2 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-20120122852-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, CYP3A43 NOD2 1126/4885NOD1 396/4885KDM4E 1876/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS NOD2 978/4885NOD1 313/4885KDM4E 1797/4885

“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.