SCHEMBL15329508

SCHEMBL15329508

Nc1cc(Cl)c(-c2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 2/20 0.39
PDE7A Q13946 6/20 0.39
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HIF1A Q16665 1/20 0.38
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CCR2 P41597 2/20 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
SCHEMBL15329936 0.88 ABCC8 (0.47) TSHRMAPK1ALDH1A1MAPTMEN1
SCHEMBL15340958 0.87 TSHR (0.49) TSHRMAPK1ALDH1A1MAPTMEN1
SCHEMBL15329714 0.81 TSHR (0.48) TSHRALDH1A1CYP3A4GLAPOLB
SCHEMBL15330373 0.81 ALDH1A1 (0.47) TSHRMAPK1ALDH1A1MAPTMEN1
SCHEMBL9069658 0.80 ALDH1A1 (0.56) TSHRMAPK1ALDH1A1MAPTMEN1
SCHEMBL8870682 0.79 TSHR (0.43) TSHRMAPK1ALDH1A1LMNACYP3A4
SCHEMBL313585 0.78 ALDH1A1 (0.49) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL15329618 0.76 MAPT (0.51) TSHRMAPK1ALDH1A1MAPTMEN1
SCHEMBL15330297 0.76 ALDH1A1 (0.47) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL463026 0.75 MAPT (0.49) TSHRALDH1A1MAPTMEN1KMT2A

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3763706-A1 PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF Boehringer Ingelheim Animal Health USA Inc. (US) 2021-01-13 EP disclosed
EP-3453702-A2 PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF Merial, Inc. (US) 2019-03-13 EP disclosed
CN-105732511-B Include the composition of the Parasiticidal of benzimidizole derivatives, method and purposes 梅里亚有限公司 2018-08-17 CN disclosed
CN-104395295-B Parasiticidal compositions comprising benzimidazole derivatives, methods and uses thereof 梅里亚有限公司 2018-03-06 CN disclosed
CN-107353254-A The composition of Parasiticidal comprising benzimidizole derivatives, its method and purposes 梅里亚有限公司 2017-11-17 CN disclosed
US-9695129-B2 Parasiticidal compositions comprising benzimidazole derivatives, methods and uses thereof MERIAL INC. (US) 2017-07-04 US disclosed
US-9695129-B2 Parasiticidal compositions comprising benzimidazole derivatives, methods and uses thereof MERIAL INC. (US) 2017-07-04 US disclosed
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-20160251317-A1 PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF MERIAL INC (US) 2016-09-01 US disclosed
US-20160251317-A1 PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF MERIAL INC (US) 2016-09-01 US disclosed
EP-2895465-A1 PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF Merial Limited (US) 2015-07-22 EP disclosed
US-9000187-B2 Parasiticidal compositions comprising benzimidazole derivatives, methods and uses thereof MERIAL, INC. (US) 2015-04-07 US disclosed
US-9000187-B2 Parasiticidal compositions comprising benzimidazole derivatives, methods and uses thereof MERIAL, INC. (US) 2015-04-07 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
WO-2013158894-A1 PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF MERIAL LIMITED (US) 2013-10-24 WO disclosed
US-20130281392-A1 PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF MERIAL LIMITED (US) 2013-10-24 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 4248/4885MAPK1 4567/4885ALDH1A1 411/4885
US-20130281392-A1 PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF LIPC, CYP3A43, CYP51A1 TSHR 4248/4885MAPK1 4567/4885ALDH1A1 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.