SCHEMBL15329618

SCHEMBL15329618

Nc1cc(Cl)c(-c2ccc(Cl)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
TDP1 Q9NUW8 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 1/20 0.51
TSHR P16473 3/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 4/20 0.46
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 1/20 0.43
LMNA P02545 1/20 0.42
DHFR P00374 1/20 0.42
PDE7A Q13946 4/20 0.41
HSP90AA1 P07900 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
RAB9A P51151 1/20 0.40
PDE7B Q9NP56 1/20 0.39

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
SCHEMBL2264423 0.88 TDP1 (0.49) MAPTTDP1MEN1KMT2APOLB
SCHEMBL15329958 0.88 TDP1 (0.49) MAPTTDP1MEN1KMT2APOLB
SCHEMBL15340917 0.88 TSHR (0.54) MAPTTDP1MEN1KMT2APOLB
SCHEMBL12364210 0.87 TDP1 (0.51) MAPTTDP1MEN1KMT2APOLB
SCHEMBL9069658 0.84 ALDH1A1 (0.56) MAPTTDP1MEN1KMT2APOLB
SCHEMBL15330297 0.84 ALDH1A1 (0.47) MAPTTDP1MEN1KMT2APOLB
SCHEMBL8587439 0.78 MAPT (0.56) MAPTTDP1MEN1KMT2APOLB
SCHEMBL3502477 0.78 TDP1 (0.79) MAPTTDP1MEN1KMT2APOLB
SCHEMBL838256 0.77 ALDH1A1 (0.71) MAPTTDP1MEN1KMT2APOLB
SCHEMBL30458055 0.77 ALDH1A1 (0.60) MAPTTDP1MEN1KMT2APOLB

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 17 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
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
CN-105884693-A Parasiticidal Compositions Comprising Benzimidazole Derivatives, Methods And Uses Thereof 梅里亚有限公司 2016-08-24 CN 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 MAPT 4208/4885TDP1 4634/4885MEN1 3898/4885
US-20130281392-A1 PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF LIPC, CYP3A43, CYP51A1 MAPT 4208/4885TDP1 4634/4885MEN1 3898/4885

“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.