SCHEMBL830058

SCHEMBL830058

CCOC(=O)c1cc2nc(C(F)(F)F)ccc2n1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
ALDH1A1 P00352 5/20 0.54
TSHR P16473 3/20 0.54
POLB P06746 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
ATM Q13315 1/20 0.54
NOD2 Q9HC29 1/20 0.54
NOD1 Q9Y239 1/20 0.54
F10 P00742 2/20 0.48
KDM4E B2RXH2 4/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 2/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL832710 0.91 NOD2 (0.47) MAPTALDH1A1TSHRPOLBTDP1
SCHEMBL2840592 0.90 LMNA (0.48) MAPTALDH1A1TSHRPOLBTDP1
SCHEMBL3114090 0.85 CCR2 (0.56)
Hydrochloric Acid SCHEMBL30104853 0.82 JAK2 (0.44) MAPTALDH1A1TSHRNOD2NOD1
SCHEMBL4714196 0.79 MAPT (0.60) MAPTALDH1A1TSHRPOLBTDP1
SCHEMBL4798323 0.77 NOD2 (0.85) MAPTALDH1A1TSHRPOLBTDP1
SCHEMBL3113563 0.77 CCR9 (0.52) MEN1KMT2A
SCHEMBL30104845 0.76 STING1 (0.50) GNRHR
SCHEMBL1101087 0.76 CCR2 (0.47) TSHRHTT
SCHEMBL19476691 0.76 PTGS2 (0.65) MAPTALDH1A1TSHRPOLBTDP1

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 MAPT 3000/4885ALDH1A1 453/4885TSHR 1101/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS MAPT 3347/4885ALDH1A1 484/4885TSHR 1062/4885

“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.