SCHEMBL15340958

SCHEMBL15340958

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.49
CYP3A4 P08684 4/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 5/20 0.36
ALOX15 P16050 2/20 0.36
HPGD P15428 1/20 0.36
HIF1A Q16665 1/20 0.36
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MAPK1 P28482 1/20 0.36
S1PR4 O95977 1/20 0.35

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
SCHEMBL15329508 0.87 TSHR (0.43) TSHRCYP3A4ALDH1A1MAPTMEN1
SCHEMBL15329936 0.86 ABCC8 (0.47) TSHRCYP3A4ALDH1A1MAPTMEN1
SCHEMBL15340970 0.85 TSHR (0.58) TSHRCYP3A4ALDH1A1MAPTMEN1
SCHEMBL15340956 0.82 GLA (0.46) TSHRCYP3A4ALDH1A1MAPTPOLB
SCHEMBL15330373 0.79 ALDH1A1 (0.47) TSHRCYP3A4ALDH1A1MAPTMEN1
SCHEMBL9069658 0.78 ALDH1A1 (0.56) TSHRCYP3A4ALDH1A1MAPTMEN1
SCHEMBL15340917 0.77 TSHR (0.54) TSHRCYP3A4ALDH1A1MAPTMEN1
SCHEMBL313585 0.76 ALDH1A1 (0.49) TSHRCYP3A4ALDH1A1MAPTMEN1
SCHEMBL13487162 0.74 ALDH1A1 (0.49) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL15330297 0.74 ALDH1A1 (0.47) TSHRCYP3A4ALDH1A1MAPTMEN1

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 25/4885ALDH1A1 411/4885
US-20130281392-A1 PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF LIPC, CYP3A43, CYP51A1 TSHR 4248/4885CYP3A4 25/4885ALDH1A1 411/4885

“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.