SCHEMBL15340971

SCHEMBL15340971

Cc1ccc(-c2cc(N)c(N)cc2Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
ALOX15 P16050 2/20 0.48
TP53 P04637 2/20 0.48
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CD44 P16070 1/20 0.46
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA1 P00915 1/20 0.38
CDC7 O00311 1/20 0.37
CCNE1 P24864 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
SCHEMBL11507014 0.84 NPC1 (0.46) TDP1TP53THRBNPC1RAB9A
SCHEMBL15340956 0.81 GLA (0.46) CYP3A4TDP1ALOX15TP53THRB
SCHEMBL15340914 0.79 CD44 (0.46) CYP3A4TDP1ALOX15TP53THRB
SCHEMBL15340970 0.78 TSHR (0.58) CYP3A4TDP1ALOX15ALDH1A1NPC1
SCHEMBL12189590 0.75 HSD11B1 (0.44) TDP1TP53SMN1; SMN2NPC1RAB9A
SCHEMBL172051 0.75
SCHEMBL29826287 0.75
SCHEMBL7648209 0.73 ACHE (0.46) CYP3A4TDP1TP53THRBSMN1; SMN2
Chloromethane SCHEMBL28160244 0.73 CYP3A4 (0.56) CYP3A4TDP1ALOX15TP53THRB
Hydrochloric Acid SCHEMBL9514104 0.73 CYP3A4 (0.58) CYP3A4TDP1ALOX15TP53THRB

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 CYP3A4 25/4885TDP1 4634/4885ALOX15 401/4885
US-20130281392-A1 PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF LIPC, CYP3A43, CYP51A1 CYP3A4 25/4885TDP1 4634/4885ALOX15 401/4885

“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.