SCHEMBL382236

SCHEMBL382236

O=[N+]([O-])c1ccc(NC2CCNCC2)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.49
HTR6 P50406 3/20 0.49
CYP3A4 P08684 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
HTT P42858 2/20 0.49
GLA P06280 2/20 0.49
CES2 O00748 1/20 0.49
ABCB11 O95342 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
TBXA2R P21731 1/20 0.49
AADAC P22760 1/20 0.49
MAPK1 P28482 1/20 0.49
ADRA1A P35348 1/20 0.49

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
Hydrochloric Acid SCHEMBL381573 0.99 AR (0.48) ARHTR6CYP3A4CYP1A2CYP2C9
SCHEMBL12042066 0.93 AR (0.47) ARHTR6CYP3A4CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL9985021 0.91 AR (0.46) ARHTR6CYP3A4CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL9985023 0.91 AR (0.46) ARHTR6CYP3A4CYP1A2CYP2C9
SCHEMBL5923538 0.88 LMNA (0.54) ARHTR6CYP3A4CYP1A2CYP2C9
SCHEMBL15727592 0.87 LMNA (0.52) ARHTR6CYP3A4CYP1A2CYP2C9
SCHEMBL28028581 0.86 AR (0.50) ARHTR6CYP3A4CYP1A2CYP2C9
SCHEMBL28028086 0.86 AR (0.50) ARHTR6CYP3A4CYP1A2CYP2C9
SCHEMBL12916482 0.85 CNR2 (0.50) ARHTR6CYP3A4CYP1A2CYP2C9
SCHEMBL945097 0.85 CNR2 (0.50) ARHTR6CYP3A4CYP1A2CYP2C9

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3247701-B1 ANTHELMINTIC COMPOUNDS, COMPOSITIONS AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-09-22 EP disclosed
EP-3428162-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-05-05 EP disclosed
CN-106536518-B Anthelmintic compounds 勃林格殷格翰动物保健美国公司 2020-05-12 CN disclosed
US-10597364-B2 Anthelmintic compounds, compositions and method of using thereof Boehringer Ingelheim Animal Health USA Inc. (US) 2020-03-24 US disclosed
US-10597364-B2 Anthelmintic compounds, compositions and method of using thereof Boehringer Ingelheim Animal Health USA Inc. (US) 2020-03-24 US disclosed
US-10463661-B2 Anthelmintic compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2019-11-05 US disclosed
US-10463661-B2 Anthelmintic compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2019-11-05 US disclosed
EP-3428162-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF Merial Inc. (US) 2019-01-16 EP disclosed
US-10155725-B2 Anthelmintic compounds and compositions and method of using thereof MERIAL, INC. (US) 2018-12-18 US disclosed
US-20180338972-A1 ANTHELMINTIC COMPOUNDS MERIAL INC. (US) 2018-11-29 US disclosed
WO-2014081697-A2 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-30 WO disclosed
WO-2014081697-A2 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-30 WO disclosed
US-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-22 US disclosed
US-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-22 US disclosed
US-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-22 US disclosed
EP-2408742-A1 ANTHELMINTIC AGENTS AND THEIR USE Intervet International B.V. (NL) 2012-01-25 EP disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
WO-2010115688-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-10-14 WO disclosed
WO-2010115688-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-10-14 WO 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 (6 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-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO AR 4080/4885HTR6 2883/4885CYP3A4 272/4885
US-10597364-B2 Anthelmintic compounds, compositions and method of using thereof CYP8B1, CYP2C8, CYP2B6 AR 3710/4885HTR6 1060/4885CYP3A4 111/4885
US-10463661-B2 Anthelmintic compounds HRH4, QTRT1, Q6ZSR9 AR 2792/4885HTR6 916/4885CYP3A4 92/4885
US-10155725-B2 Anthelmintic compounds and compositions and method of using thereof CYP3A5, ABCC5, CXXC5 AR 3315/4885HTR6 1897/4885CYP3A4 58/4885
US-20180338972-A1 ANTHELMINTIC COMPOUNDS HRH4, QTRT1, Q6ZSR9 AR 2792/4885HTR6 916/4885CYP3A4 92/4885
US-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF CYP3A5, ABCC5, CXXC5 AR 3315/4885HTR6 1897/4885CYP3A4 58/4885

“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.