SCHEMBL15330302

SCHEMBL15330302

Nc1cc(Oc2ccc(Cl)cc2Cl)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 5/20 0.52
TSHR P16473 2/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 2/20 0.49
S1PR4 O95977 2/20 0.48
HPGD P15428 3/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 3/20 0.45
NR1I2 O75469 1/20 0.45
TTR P02766 1/20 0.45
PGR P06401 1/20 0.45
HSP90AA1 P07900 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
HSPA5 P11021 1/20 0.45
CBR1 P16152 1/20 0.45

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
SCHEMBL10882415 0.86 TDP1 (0.62) PDE7ATSHRMAPK1TDP1S1PR4
SCHEMBL15340938 0.86 TSHR (0.54) PDE7ATSHRMAPK1TDP1S1PR4
SCHEMBL11819011 0.85 HPGD (0.65) PDE7ATSHRMAPK1TDP1HPGD
SCHEMBL11820528 0.85 PDE7A (0.59) PDE7ATSHRMAPK1TDP1HPGD
SCHEMBL10756271 0.84 S1PR4 (0.56) PDE7ATSHRMAPK1TDP1S1PR4
SCHEMBL3654191 0.83 PDE7A (0.63) PDE7ATSHRMAPK1TDP1S1PR4
SCHEMBL15330050 0.82 TDP1 (0.57) PDE7ATSHRTDP1HPGDPOLB
SCHEMBL11819831 0.82 MEN1 (0.52) PDE7ATSHRMAPK1TDP1ALDH1A1
SCHEMBL4965836 0.81 MAPK1 (0.62) PDE7ATSHRMAPK1TDP1S1PR4
SCHEMBL11016678 0.81 TDP1 (0.62) PDE7ATSHRMAPK1TDP1S1PR4

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 20 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
EP-2895465-B1 PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF MERIAL INC (US) 2018-10-03 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 PDE7A 680/4885TSHR 4248/4885MAPK1 4567/4885
US-20130281392-A1 PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF LIPC, CYP3A43, CYP51A1 PDE7A 680/4885TSHR 4248/4885MAPK1 4567/4885

“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.