SCHEMBL15340917

SCHEMBL15340917

Cc1ccc(-c2cc([N+](=O)[O-])c(N)cc2Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
MAPT P10636 7/20 0.49
TDP1 Q9NUW8 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 6/20 0.44
CYP3A4 P08684 4/20 0.44
HPRT1 P00492 1/20 0.43
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.40
DHFR P00374 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
RECQL P46063 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL15329618 0.88 MAPT (0.51) TSHRMAPTTDP1MEN1KMT2A
SCHEMBL2264423 0.85 TDP1 (0.49) TSHRMAPTTDP1MEN1KMT2A
SCHEMBL15340970 0.85 TSHR (0.58) TSHRMAPTTDP1MEN1KMT2A
SCHEMBL15329958 0.85 TDP1 (0.49) TSHRMAPTTDP1MEN1KMT2A
SCHEMBL12364210 0.84 TDP1 (0.51) TSHRMAPTTDP1MEN1KMT2A
SCHEMBL9069658 0.82 ALDH1A1 (0.56) TSHRMAPTTDP1MEN1KMT2A
SCHEMBL15330297 0.81 ALDH1A1 (0.47) TSHRMAPTTDP1MEN1KMT2A
SCHEMBL15340914 0.78 CD44 (0.46) TSHRTDP1MEN1KMT2AALDH1A1
SCHEMBL15340958 0.77 TSHR (0.49) TSHRMAPTTDP1MEN1KMT2A
SCHEMBL5952772 0.76 TDP1 (0.79) TSHRMAPTTDP1MEN1KMT2A

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 TSHR 4248/4885MAPT 4208/4885TDP1 4634/4885
US-20130281392-A1 PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF LIPC, CYP3A43, CYP51A1 TSHR 4248/4885MAPT 4208/4885TDP1 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.