SCHEMBL9967993

SCHEMBL9967993

Cc1nc(C(F)F)c(C)s1

nearest known ligand 0.30

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL2600752 0.77 ALDH1A1 (0.31) NPC1ALDH1A1TP53MAPTPKM
SCHEMBL20144683 0.76 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL16661429 0.75
SCHEMBL20738716 0.73
SCHEMBL31676148 0.73 NPC1 (0.31) NPC1RAB9ASMN1; SMN2
SCHEMBL18793690 0.73 NOS1 (0.31)
SCHEMBL13567235 0.73
SCHEMBL10119505 0.73 GRM5 (0.33)
SCHEMBL802240 0.73 KMT2A (0.34)
SCHEMBL5608462 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020002091-A1 SUBSTITUTED THIAZOLYLPYRROLONES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 WO disclosed
US-20190133122-A1 FUNGICIDAL OR BACTERICIDAL COMPOSITION AND METHOD FOR CONTROLLING DISEASE NISSAN CHEMICAL CORPORATION (JP) 2019-05-09 US disclosed
US-20190092765-A1 N-CYCLOALKYL-N-[(HETEROCYCLYLPHENYL)METHYLENE]-(THIO)CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-03-28 US disclosed
US-10231454-B2 Fungicidal or bactericidal composition, and method for controlling diseases NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-03-19 US disclosed
US-20180220655-A1 FUNGICIDAL OR BACTERICIDAL COMPOSITION, AND METHOD FOR CONTROLLING DISEASES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-08-09 US disclosed
US-20180220655-A1 FUNGICIDAL OR BACTERICIDAL COMPOSITION, AND METHOD FOR CONTROLLING DISEASES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-08-09 US disclosed
US-9974305-B2 Fungicidal or bactericidal composition, and method for controlling diseases NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-05-22 US disclosed
US-9974305-B2 Fungicidal or bactericidal composition, and method for controlling diseases NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-05-22 US disclosed
US-9920030-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2018-03-20 US disclosed
WO-2017188335-A1 FUNGICIDAL OR BACTERICIDAL COMPOSITION AND METHOD FOR CONTROLLING DISEASE 日産化学工業株式会社 2017-11-02 WO disclosed
WO-2009012998-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-01-29 WO disclosed
US-20080085924-A1 Biphenylcaboxamides BAYER CROPSCINCE AG (DE) 2008-04-10 US disclosed
US-20080085924-A1 Biphenylcaboxamides BAYER CROPSCINCE AG (DE) 2008-04-10 US disclosed
US-20080058389-A1 Carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-06 US disclosed
US-20070293455-A1 Silylated Carboxamides BAYER CROPSCIENCE AG (DE) 2007-12-20 US disclosed
US-20070293455-A1 Silylated Carboxamides BAYER CROPSCIENCE AG (DE) 2007-12-20 US disclosed
US-20070196406-A1 1,3-Dimethylbutyl carboxanilides for controlling undesirable micro-organisms BAYER CROPSCIENCE AG (DE) 2007-08-23 US disclosed
US-20070196406-A1 1,3-Dimethylbutyl carboxanilides for controlling undesirable micro-organisms BAYER CROPSCIENCE AG (DE) 2007-08-23 US disclosed
US-20070004921-A1 Isopentyl carboxanilides for combating undesired micro-organisms BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-01-04 US disclosed
US-20070004921-A1 Isopentyl carboxanilides for combating undesired micro-organisms BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-01-04 US 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 (9 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-20070293455-A1 Silylated Carboxamides MRPL21, MRPS22, MRM1 NPC1 3441/4885ALDH1A1 1011/4885TP53 4210/4885
US-20080085924-A1 Biphenylcaboxamides AHR, Q6ZSR9, DDT NPC1 2960/4885ALDH1A1 415/4885TP53 4414/4885
US-20180220655-A1 FUNGICIDAL OR BACTERICIDAL COMPOSITION, AND METHOD FOR CONTROLLING DISEASES NOX3, TH, CBR3 NPC1 2985/4885ALDH1A1 1628/4885TP53 4809/4885
US-20070004921-A1 Isopentyl carboxanilides for combating undesired micro-organisms MLYCD, MRPL21, PGLS NPC1 3900/4885ALDH1A1 498/4885TP53 2645/4885
US-20070196406-A1 1,3-Dimethylbutyl carboxanilides for controlling undesirable micro-organisms MCRS1, MRM1, PADI1 NPC1 4252/4885ALDH1A1 313/4885TP53 3492/4885
US-20080058389-A1 Carboxamides CBR3, CBR1, H1-10 NPC1 2125/4885ALDH1A1 1944/4885TP53 3402/4885
US-10231454-B2 Fungicidal or bactericidal composition, and method for controlling diseases NOX3, TH, CBR3 NPC1 2985/4885ALDH1A1 1628/4885TP53 4809/4885
US-20190133122-A1 FUNGICIDAL OR BACTERICIDAL COMPOSITION AND METHOD FOR CONTROLLING DISEASE PYM1, CBR3, NOX3 NPC1 1163/4885ALDH1A1 2743/4885TP53 4388/4885
US-20190092765-A1 N-CYCLOALKYL-N-[(HETEROCYCLYLPHENYL)METHYLENE]-(THIO)CARBOXAMIDE DERIVATIVES CBR3, CBR1, NANP NPC1 1096/4885ALDH1A1 3285/4885TP53 4412/4885

“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.