SCHEMBL15340938

SCHEMBL15340938

Cc1ccc(Oc2cc(N)c([N+](=O)[O-])cc2Cl)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
S1PR4 O95977 1/20 0.49
PDE7A Q13946 2/20 0.44
HPGD P15428 1/20 0.43
CYP3A4 P08684 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 5/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.40
RECQL P46063 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
SCHEMBL11821511 0.86 MAPT (0.51) TSHRS1PR4PDE7ACYP3A4MEN1
SCHEMBL15340897 0.86 PDE7A (0.50) TSHRS1PR4PDE7AMEN1KMT2A
SCHEMBL15330302 0.86 PDE7A (0.52) TSHRS1PR4PDE7AHPGDMEN1
SCHEMBL11819011 0.83 HPGD (0.65) TSHRPDE7AHPGDCYP3A4MEN1
SCHEMBL15329644 0.82 LMNA (0.46) TSHRS1PR4HPGDMAPTALDH1A1
SCHEMBL15340937 0.80 ALDH1A1 (0.46) HPGDCYP3A4MEN1KMT2AMAPT
SCHEMBL15330050 0.80 TDP1 (0.57) TSHRPDE7AHPGDCYP3A4MEN1
SCHEMBL15329532 0.78 HSPB1 (0.58) TSHRS1PR4PDE7AHPGDMEN1
SCHEMBL11483979 0.78 PDE7A (0.50) TSHRPDE7AHPGDMEN1KMT2A
SCHEMBL8515835 0.78 MEN1 (0.53) TSHRPDE7AHPGDCYP3A4MEN1

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 4248/4885S1PR4 2368/4885PDE7A 680/4885
US-20130281392-A1 PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF LIPC, CYP3A43, CYP51A1 TSHR 4248/4885S1PR4 2368/4885PDE7A 680/4885

“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.