SCHEMBL829865

SCHEMBL829865

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 3/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
SCN9A Q15858 1/20 0.39
THRB P10828 1/20 0.39
NTRK1 P04629 2/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 3/20 0.39
GAA P10253 1/20 0.39
LIPE Q05469 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CHRNA7 P36544 1/20 0.38
TSHR P16473 1/20 0.38
NOD2 Q9HC29 1/20 0.37

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
SCHEMBL830576 0.89 NOD2 (0.45) PTGDR2SMN1; SMN2MAPTKDM4ECRHBP
SCHEMBL3110734 0.88 NTRK1 (0.48) PTGDR2KDM4ESCN9ANTRK1HPGD
SCHEMBL829866 0.80 KDM4E (0.41) SMN1; SMN2NPC1KDM4ECRHBPCRHR2
SCHEMBL21647437 0.79 KDM4E (0.49) SMN1; SMN2MAPTKDM4ECRHBPCRHR2
SCHEMBL3114834 0.79 ALDH1A1 (0.50) PTGDR2KDM4ENTRK1HPGDPOLB
SCHEMBL21647472 0.76 KDM4E (0.51) SMN1; SMN2MAPTKDM4ECRHBPCRHR2
SCHEMBL7751603 0.76 NOD2 (0.50) SMN1; SMN2NPC1MAPTRAB9AKDM4E
Hydrochloric Acid SCHEMBL29153651 0.74 KDM4E (0.49) SMN1; SMN2NPC1MAPTRAB9AKDM4E
SCHEMBL830229 0.74 KDM4E (0.49) SMN1; SMN2MAPTKDM4ECRHBPCRHR2
SCHEMBL832122 0.74 MEN1 (0.41) PTGDR2SMN1; SMN2NPC1MAPTRAB9A

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 PTGDR2 1624/4885SMN1; SMN2 3560/4885NPC1 392/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS PTGDR2 1636/4885SMN1; SMN2 3750/4885NPC1 390/4885

“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.