Sugi Predict

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SCHEMBL232104

SCHEMBL232104

Cn1cc(C(=O)Nc2ccccc2-c2ccc(C(F)(F)F)cc2)c(C(F)F)n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 3/20 0.56
▸ CHRM3 P20309 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.44
▸ ABCG2 Q9UNQ0 7/20 0.44
▸ ATM Q13315 1/20 0.42
▸ TACR1 P25103 1/20 0.42
▸ ABCB1 P08183 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MTTP P55157 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL29419096 1.00 NTRK1 (0.56) NTRK1CHRM3ALDH1A1ABCG2ATM
SCHEMBL26135329 0.95 NTRK1 (0.52) NTRK1CHRM3ALDH1A1ABCG2ATM
SCHEMBL10267956 0.93 NTRK1 (0.50) NTRK1CHRM3ALDH1A1ATMTACR1
SCHEMBL3540089 0.92 NTRK1 (0.54) NTRK1CHRM3ALDH1A1ABCG2ATM
SCHEMBL10061459 0.92 NTRK1 (0.48) NTRK1CHRM3ALDH1A1ATMKDM4E
SCHEMBL4449376 0.91 NTRK1 (0.50) NTRK1CHRM3ALDH1A1ABCG2ATM
SCHEMBL13455792 0.91 NTRK1 (0.47) NTRK1CHRM3ALDH1A1ATMKDM4E
SCHEMBL1145015 0.89 ATM (0.46) NTRK1ALDH1A1ATMKDM4ELMNA
SCHEMBL20875262 0.89 NTRK1 (0.52) NTRK1CHRM3ALDH1A1ATMKMT2A
SCHEMBL1085490 0.89 ALDH1A1 (0.50) ALDH1A1ATMGAAKMT2AKDM4E

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 1050 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108658816-B N-aryl amidine substituted trifluoroethyl sulfide derivatives useful as acaricides and insecticides 拜尔农作物科学股份公司 2023-05-02 — — CN claimed
CN-108184905-B Compositions comprising biological control agents and fungicides 拜尔农作物科学股份公司 2021-12-28 — — CN claimed
CN-107996613-B Compositions comprising biological control agents and pesticides 拜尔农作物科学股份公司 2021-10-22 — — CN claimed
CN-109169661-B Compositions comprising biological control agents and insecticides 拜耳作物科学股份公司 2021-09-21 — — CN claimed
CN-107926985-B Compositions comprising biological control agents and fungicides 拜尔农作物科学股份公司 2021-02-02 — — CN claimed
EP-3488700-B1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE BAYER CROPSCIENCE AG (DE) 2020-12-16 — — EP claimed
EP-2854545-B1 COMPOSITIONS COMPRISING A BIOLOGICAL CONTROL AGENT AND AN INSECTICIDE BAYER CROPSCIENCE AG (DE) 2020-10-21 — — EP claimed
CN-106962403-B Compositions comprising biological control agents and pesticides 拜耳作物科学股份公司 2020-05-05 — — CN claimed
EP-3010893-B1 ARYLSULFIDE AND ARYLSULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2019-10-02 — — EP claimed
EP-2854532-B1 COMPOSITIONS COMPRISING A BIOLOGICAL CONTROL AGENT AND AN INSECTICIDE BAYER CROPSCIENCE AG (DE) 2019-08-07 — — EP claimed
US-20110124501-A1 Active compound combinations BAYER CROPSCIENCE AG (DE) 2011-05-26 — — US claimed
WO-2011051243-A1 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AG (DE) 2011-05-05 — — WO claimed
WO-2011029551-A2 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2011-03-17 — — WO claimed
US-20110064827-A1 Active compound combinations BAYER CROPSCIENCE AG (DE) 2011-03-17 — — US claimed
US-20110045104-A1 3-[1-(3-Haloalkyl)triazolyl]phenyl sulphide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG (DE) 2011-02-24 — — US claimed
US-20110046194-A1 3-Triazolylphenyl-substituted sulphide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG (DE) 2011-02-24 — — US claimed
US-20110003689-A1 USE OF POLYMERIC GUANIDINE DERIVATIVES FOR THE CONTROL OF UNWANTED MICROORGANISMS IN CROP PROTECTION AKA TECHNOLOGY GMBH (AT) 2011-01-06 — — US claimed
US-7799334-B2 Pyrazolecarboxamides BASF AKTIENGESELLSCHAFT (DE) 2010-09-21 — — US claimed
US-20090036305-A1 PYRAZOLECARBOXAMIDES BASF AKTIENGESELLSCHAFT (DE) 2009-02-05 — — US claimed
EP-2014166-A1 Active compound combinations Bayer CropScience AG (DE) 2009-01-14 — — EP claimed

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-20110003689-A1 USE OF POLYMERIC GUANIDINE DERIVATIVES FOR THE CONTROL OF UNWANTED MICROORGANISMS IN CROP PROTECTION GDA, GMPS, GANC NTRK1 4234/4885CHRM3 2464/4885ALDH1A1 1741/4885
US-20110064827-A1 Active compound combinations TST, DPM1, DDT NTRK1 4648/4885CHRM3 3323/4885ALDH1A1 1023/4885
US-20110124501-A1 Active compound combinations CYP51A1, CA4, BROX NTRK1 4385/4885CHRM3 3273/4885ALDH1A1 240/4885
US-20110045104-A1 3-[1-(3-Haloalkyl)triazolyl]phenyl sulphide derivatives as acaricides and insecticides ATL3, PDIA3, NAT1 NTRK1 4143/4885CHRM3 472/4885ALDH1A1 163/4885
US-20090036305-A1 PYRAZOLECARBOXAMIDES CBR3, CBR1, CYC1 NTRK1 3863/4885CHRM3 231/4885ALDH1A1 3250/4885
US-20110046194-A1 3-Triazolylphenyl-substituted sulphide derivatives as acaricides and insecticides CYP4B1, ARSA, C1S NTRK1 4250/4885CHRM3 148/4885ALDH1A1 589/4885

“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.