SCHEMBL127047

SCHEMBL127047

Cc1cc(C(F)(F)F)cs1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CHRM3 P20309 1/20 0.35
GRM5 P41594 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.31
PTPN5 P54829 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
KIF11 P52732 2/20 0.31
MPL P40238 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CES2 O00748 1/20 0.30

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
SCHEMBL24724927 0.83 DAO (0.35) DAONPC1RAB9ACHRM3
SCHEMBL25447363 0.81 DAO (0.34) DAONPC1RAB9ACHRM3
SCHEMBL19187342 0.80 DAO (0.37) DAOCHRM3
SCHEMBL23188082 0.78 DAO (0.32) DAOCHRM3
SCHEMBL131245 0.78 MLYCD (0.43) DAOCHRM3TSHRMEN1KMT2A
SCHEMBL10153919 0.77 DAO (0.38) DAOCHRM3ALDH1A1TSHRKIF11
SCHEMBL129653 0.73 CHRM3 (0.41) DAOCHRM3
SCHEMBL28138980 0.72 TSHR (0.39) PTPN5ALDH1A1TSHRKIF11MPL
SCHEMBL16467657 0.72 MPL (0.34) GRM5PTPN5ALDH1A1TSHRKIF11
SCHEMBL13010764 0.71 KIF11 (0.33) GRM5KIF11MPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP claimed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 US disclosed
WO-2019179928-A1 SUBSTITUTED SUCCINIMIDE-3-CARBOXAMIDES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2019-09-26 WO disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
EP-2952096-A1 METHOD FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2015-12-09 EP disclosed
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-03 US disclosed
WO-2015158605-A1 HETARYL SUBSTITUTED MALONONITRILE COMPOUNDS BASF SE (DE) 2015-10-22 WO disclosed
US-9018220-B2 Mesoionic pesticides E I DU PONT DE NEMOURS AND COMPANY (US) 2015-04-28 US disclosed
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-01 US disclosed
EP-2813492-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Co., Ltd (JP) 2014-12-17 EP disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
WO-2011050160-A1 PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2011-04-28 WO disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP disclosed
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP disclosed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 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 (4 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-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST H1-0, H1-3, H1-2 DAO 252/4885NPC1 3630/4885RAB9A 400/4885
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL RPS8, MT-CO2, ARG1 DAO 376/4885NPC1 2927/4885RAB9A 375/4885
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE OCIAD1, OCIAD2, SLCO4C1 DAO 2480/4885NPC1 967/4885RAB9A 535/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 DAO 388/4885NPC1 1907/4885RAB9A 2999/4885

“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.