SCHEMBL831499

SCHEMBL831499

OCCOc1ccc(C(F)(F)F)cn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GABRA5 P31644 1/20 0.45
LMNA P02545 1/20 0.44
SCN9A Q15858 5/20 0.44
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 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
SCHEMBL2127531 0.91 MRGPRX4 (0.47) MRGPRX4HPGDKMT2AMAPK1TSHR
SCHEMBL4625435 0.90 MRGPRX4 (0.49) MRGPRX4HPGDKMT2AMAPK1TSHR
SCHEMBL5077085 0.84 HPGD (0.49) MRGPRX4HPGDKMT2AMAPK1TSHR
SCHEMBL270846 0.82 SMN1; SMN2 (0.44) HPGDKMT2ASMN1; SMN2GABRA5THRB
SCHEMBL3159889 0.82 HPGD (0.48) MRGPRX4HPGDKMT2AMAPK1TSHR
SCHEMBL5077087 0.82 HPGD (0.48) MRGPRX4HPGDKMT2AMAPK1TSHR
SCHEMBL13481259 0.82 HPGD (0.55) MRGPRX4HPGDKMT2AMAPK1TSHR
SCHEMBL5079495 0.82 HPGD (0.48) MRGPRX4HPGDKMT2AMAPK1TSHR
SCHEMBL2001524 0.82 HPGD (0.48) MRGPRX4HPGDKMT2AMAPK1TSHR
SCHEMBL5080403 0.82 MRGPRX4 (0.48) MRGPRX4HPGDKMT2AMAPK1TSHR

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 11 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
EP-1987010-B1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI AVENTIS (FR) 2010-04-07 EP 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
EP-1987010-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE Sanofi-Aventis (FR) 2008-11-05 EP disclosed
US-7435844-B2 Analogous compounds of strobilurines and their use as acaricides and insecticides ISAGRO RICERCA S.R.L. (IT) 2008-10-14 US disclosed
WO-2007088277-A1 TRICYCLIC Ν-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-08-09 WO disclosed
US-20060235075-A1 Analogous compounds of strobilurines and their use as acaricides and insecticides ISAGRO RICERCA S.R.L. (IT) 2006-10-19 US disclosed
EP-1494991-A1 ANALOGOUS COMPOUNDS OF STROBILURINES AND THEIR USE AS ACARICIDES AND INSECTICIDES Isagro Ricerca S.r.l. (IT) 2005-01-12 EP disclosed
WO-2003087032-A1 ANALOGOUS COMPOUNDS OF STROBILURINES AND THEIR USE AS ACARICIDES AND INSECTICIDES ISAGRO RICERCA S.R.L. (IT) 2003-10-23 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 (3 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-20060235075-A1 Analogous compounds of strobilurines and their use as acaricides and insecticides DDT, RYR1, TPMT MRGPRX4 989/4885HPGD 3764/4885KMT2A 3499/4885
US-20120122852-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, CYP3A43 MRGPRX4 896/4885HPGD 2062/4885KMT2A 998/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS MRGPRX4 854/4885HPGD 2336/4885KMT2A 942/4885

“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.