SCHEMBL921865

SCHEMBL921865

N#Cc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.49
SCN5A Q14524 1/20 0.49
SCN9A Q15858 1/20 0.49
PARP15 Q460N3 1/20 0.49
PARP10 Q53GL7 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
CYP19A1 P11511 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
IL18 Q14116 1/20 0.47
EPHX2 P34913 3/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL201174 0.94 TRPA1 (0.53) TRPA1SCN5ASCN9APARP15PARP10
SCHEMBL2803766 0.88 KIF11 (0.57) TRPA1SCN5ASCN9AMAPTMEN1
Hydrochloric Acid SCHEMBL4599674 0.86 KIF11 (0.55) TRPA1SCN5ASCN9AMAPTMEN1
SCHEMBL921728 0.86 SCN9A (0.49) TRPA1SCN5ASCN9APARP15PARP10
SCHEMBL10435232 0.85 MAOB (0.48) TRPA1SCN5ASCN9AMAPTMEN1
SCHEMBL20805849 0.83 MAPT (0.78) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL3464539 0.83 TRPA1 (0.46) TRPA1SCN5ASCN9AMAPTMEN1
SCHEMBL31739243 0.83 CYP2A6 (0.47) TRPA1SCN5ASCN9AMAPTMEN1
SCHEMBL5470709 0.83 DHODH (0.52) TRPA1SCN5ASCN9AMAPTMEN1
SCHEMBL3464533 0.83 TRPA1 (0.46) TRPA1SCN5ASCN9AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 WO disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 TRPA1 1073/4885SCN5A 385/4885SCN9A 1203/4885
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 TRPA1 2216/4885SCN5A 1733/4885SCN9A 2973/4885

“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.