SCHEMBL830229

SCHEMBL830229

CCOC(=O)c1cc2cc(F)ccc2n1CCOCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NOD2 Q9HC29 2/20 0.48
NOD1 Q9Y239 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 5/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
F10 P00742 3/20 0.46
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
TSHR P16473 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PKM P14618 2/20 0.43

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
SCHEMBL3114034 0.87 CCR2 (0.53) KDM4EF10ALDH1A1POLBHPGD
SCHEMBL21647437 0.84 KDM4E (0.49) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL8690101 0.83 MEN1 (0.51) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL21647472 0.83 KDM4E (0.51) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL7751603 0.80 NOD2 (0.50) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL832448 0.80 F10 (0.61) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL3566593 0.78 IDO1 (0.58) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL830576 0.78 NOD2 (0.45) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL2281043 0.76 ALDH1A1 (0.64) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL21684702 0.76 ALDH1A1 (0.48) KDM4ECRHBPCRHR2SMN1; SMN2NOD2

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 KDM4E 1876/4885CRHBP 3390/4885CRHR2 1063/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS KDM4E 1797/4885CRHBP 3462/4885CRHR2 1248/4885

“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.