SCHEMBL15340914

SCHEMBL15340914

Cc1ccc(-c2cc(N)c(N)cc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.46
CYP3A4 P08684 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
ALOX15 P16050 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL6250139 0.85 ALDH1A1 (0.47) CD44CYP3A4ALOX15SMN1; SMN2PRKAB2
SCHEMBL15330505 0.83 AHR (0.48) CD44CYP3A4TDP1ALOX15SMN1; SMN2
SCHEMBL12054920 0.80 AHR (0.60) TDP1ALOX15PRKAB2PRKAG1PRKAA2
SCHEMBL15340971 0.79 CYP3A4 (0.48) CD44CYP3A4TDP1ALOX15SMN1; SMN2
SCHEMBL2265147 0.79 CSNK2A1 (0.47) CYP3A4TDP1ALOX15PRKAB2PRKAG1
SCHEMBL15329915 0.79 PTGS2 (0.43) CD44CYP3A4TDP1SMN1; SMN2TP53
SCHEMBL12364208 0.78 ALDH1A1 (0.50) CD44CYP3A4SMN1; SMN2PRKAB2PRKAG1
SCHEMBL15340917 0.78 TSHR (0.54) CYP3A4TDP1ALOX15PRKAB2PRKAG1
SCHEMBL21021252 0.78 PLA2G7 (0.50) CYP3A4SMN1; SMN2TP53PRKAB2PRKAG1
SCHEMBL14202693 0.78 CYP3A4 (0.52) CYP3A4ALOX15SMN1; SMN2TP53THRB

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-9695129-B2 Parasiticidal compositions comprising benzimidazole derivatives, methods and uses thereof MERIAL INC. (US) 2017-07-04 US disclosed
US-20160251317-A1 PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF MERIAL INC (US) 2016-09-01 US disclosed
US-9000187-B2 Parasiticidal compositions comprising benzimidazole derivatives, methods and uses thereof MERIAL, INC. (US) 2015-04-07 US disclosed
US-20130281392-A1 PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF MERIAL LIMITED (US) 2013-10-24 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-20160251317-A1 PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF LIPC, CYP3A43, CYP51A1 CD44 2538/4885CYP3A4 25/4885TDP1 4634/4885
US-20130281392-A1 PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF LIPC, CYP3A43, CYP51A1 CD44 2538/4885CYP3A4 25/4885TDP1 4634/4885

“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.