SCHEMBL689878

SCHEMBL689878

COc1ccc(C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA12 O43570 1/20 0.52
CA14 Q9ULX7 1/20 0.52
HSD11B1 P28845 1/20 0.47
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ACHE P22303 1/20 0.44
TDP1 Q9NUW8 3/20 0.42
MAPK1 P28482 2/20 0.42
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
AHR P35869 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 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
SCHEMBL18144250 0.88 NFE2L2 (0.58) RAB9AMAPTAHRALDH1A1KDM4E
SCHEMBL18144249 0.88 NFE2L2 (0.58) RAB9AMAPTAHRALDH1A1KDM4E
SCHEMBL19449762 0.86 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL14047382 0.85 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL16626095 0.84 RAB9A (0.51) CA1CA2CA7CA9CA12
SCHEMBL7154424 0.83 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL17943274 0.82 ACHE (0.65) CA1CA2CA7CA9CA12
SCHEMBL16626130 0.82 CA4 (0.54) CA1CA2CA7CA9CA12
SCHEMBL18144043 0.81 MAPT (0.37) CA1CA2CA7CA9CA12
SCHEMBL18144046 0.81 MAPT (0.37) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10042258-B2 Composition for forming a resist upper-layer film and method for producing a semiconductor device using the composition NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-08-07 US disclosed
US-20170205711-A1 COMPOSITION FOR FORMING A RESIST UPPER-LAYER FILM AND METHOD FOR PRODUCING A SEMICONDUCTOR DEVICE USING THE COMPOSITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-07-20 US disclosed
US-8946438-B2 Benzamides, production thereof, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 US disclosed
US-8946438-B2 Benzamides, production thereof, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 US disclosed
US-8946438-B2 Benzamides, production thereof, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 US disclosed
US-20140187539-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-03 US disclosed
US-20140187539-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-03 US disclosed
US-20140187539-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-03 US disclosed
US-8735579-B2 Benzamides, production thereof, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-27 US disclosed
US-8735579-B2 Benzamides, production thereof, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-27 US disclosed
WO-2006016039-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2006-02-16 WO disclosed
EP-1549621-A1 FLUORINATED PHENYL-NAPHTHALENYL-UREA COMPOUNDS AS INHIBITORS OF CYTOKINES INVOLVED IN INFLAMMATORY PROCESSES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-07-06 EP disclosed
US-6872726-B2 Fluorinated di-aryl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-03-29 US disclosed
US-20050032797-A1 Fluorinated di-aryl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-10 US disclosed
WO-2004096798-A2 DERIVATIVES OF 2-ACYLAMINO-4-PHENYLTHIAZOLE, PREPARATION METHOD THEREOF AND USE OF SAME AS CHEMOKINE ANTAGONISTS SANOFI-AVENTIS (FR) 2004-11-11 WO disclosed
US-20040077647-A1 Cytokine inhibitors, antiinflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-04-22 US disclosed
WO-2004014870-A1 FLUORINATED PHENYL-NAPHTHALENYL-UREA COMPOUNDS AS INHIBITORS OF CYTOKINES INVOLVED IN INFLAMMATORY PROCESSES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-02-19 WO disclosed
US-6376710-B2 INSECTICIDES, NEMATODICIDES, MITICIDES SUMITOMO CHEMICAL CO., LTD. (JP) 2002-04-23 US disclosed
US-20010041740-A1 Amidine compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-11-15 US disclosed
EP-1138668-A2 Amidine compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-10-04 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 (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-20040077647-A1 Cytokine inhibitors, antiinflammatory agents IL1B, IL1A, TNF CA1 3301/4885CA2 3554/4885CA7 4126/4885
US-20050032797-A1 Fluorinated di-aryl urea compounds IL1B, MPO, IL1A CA1 4401/4885CA2 4503/4885CA7 4089/4885
US-20140187539-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS HRH2, HRH1, HRH4 CA1 3202/4885CA2 292/4885CA7 320/4885
US-20010041740-A1 Amidine compounds and their use as pesticides DDT, CNR1, PRMT1 CA1 505/4885CA2 571/4885CA7 303/4885

“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.