SCHEMBL15329366

SCHEMBL15329366

FC(F)(F)C(F)(F)C(F)(F)c1nc2ccc(-c3ccc(Cl)cc3)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 2/20 0.43
APP P05067 1/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
SNCA P37840 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MCL1 Q07820 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL15329680 0.83 AR (0.43) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL3500120 0.81 ALDH1A1 (0.48) ALDH1A1MAPTHPGDKDM4EHSD17B10
Hydrochloric Acid SCHEMBL18062654 0.75 MAPT (0.72) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL15329793 0.74 AR (0.45) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL15330220 0.74 AR (0.42) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL15329677 0.73 AR (0.41) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL29961428 0.72 NPSR1 (0.68) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL28666603 0.72 NPSR1 (0.68) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL9866412 0.72 ALDH1A1 (0.63) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL15330329 0.72 AR (0.43) ALDH1A1MAPTHPGDMEN1KMT2A

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 12 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
CN-105884693-B The composition of Parasiticidal comprising benzimidizole derivatives, method and purposes Merria Co., Ltd. (US) 2019-11-01 CN 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-20160251317-A1 PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF MERIAL INC (US) 2016-09-01 US disclosed
CN-105732511-A PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF 梅里亚有限公司 2016-07-06 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-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
WO-2013158894-A1 PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF MERIAL LIMITED (US) 2013-10-24 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 (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 ALDH1A1 411/4885MAPT 4208/4885HPGD 892/4885
US-20130281392-A1 PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF LIPC, CYP3A43, CYP51A1 ALDH1A1 411/4885MAPT 4208/4885HPGD 892/4885

“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.