SCHEMBL15340970

SCHEMBL15340970

Cc1ccc(-c2cc([N+](=O)[O-])c(N)cc2Cl)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.58
CYP3A4 P08684 5/20 0.46
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 5/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
S1PR4 O95977 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
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
HSD11B1 P28845 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL15340958 0.85 TSHR (0.49) TSHRCYP3A4MAPTALDH1A1MEN1
SCHEMBL9069658 0.85 ALDH1A1 (0.56) TSHRCYP3A4MAPTALDH1A1MEN1
SCHEMBL15340917 0.85 TSHR (0.54) TSHRCYP3A4MAPTALDH1A1MEN1
SCHEMBL15330373 0.78 ALDH1A1 (0.47) TSHRCYP3A4MAPTALDH1A1MEN1
SCHEMBL15340971 0.78 CYP3A4 (0.48) TSHRCYP3A4ALDH1A1TDP1ALOX15
SCHEMBL15340938 0.75 TSHR (0.54) TSHRCYP3A4MAPTALDH1A1MEN1
SCHEMBL772636 0.75 CD44 (0.54) TSHRCYP3A4MAPTALDH1A1MEN1
SCHEMBL15329618 0.75 MAPT (0.51) TSHRCYP3A4MAPTALDH1A1MEN1
SCHEMBL12364210 0.75 TDP1 (0.51) TSHRCYP3A4MAPTALDH1A1MEN1
SCHEMBL98492 0.75 TSHR (1.00) TSHRCYP3A4MAPTALDH1A1MEN1

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 4248/4885CYP3A4 25/4885MAPT 4208/4885
US-20130281392-A1 PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF LIPC, CYP3A43, CYP51A1 TSHR 4248/4885CYP3A4 25/4885MAPT 4208/4885

“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.