SCHEMBL5547675

SCHEMBL5547675

Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.59
AR P10275 1/20 0.54
PTPN5 P54829 2/20 0.51
AGXT P21549 1/20 0.51
PAX8 Q06710 1/20 0.47
PDK2 Q15119 1/20 0.46
DHODH Q02127 1/20 0.45
ENPP3 O14638 1/20 0.45
MAOB P27338 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
SCHEMBL20022093 0.98 KIF11 (0.57) KIF11ARPTPN5AGXTPAX8
SCHEMBL20022126 0.98 KIF11 (0.57) KIF11ARPTPN5AGXTPAX8
SCHEMBL20022112 0.96 KIF11 (0.55) KIF11ARPTPN5AGXTPAX8
SCHEMBL26824942 0.89 PTPN5 (0.53) KIF11ARPTPN5AGXTPDK2
SCHEMBL26831184 0.88 KIF11 (0.59) KIF11ARPTPN5AGXTDHODH
SCHEMBL2662898 0.86 PTPN5 (0.62) KIF11ARPTPN5MAOB
SCHEMBL26821713 0.85 KIF11 (0.73) KIF11AGXTDHODHMAOB
SCHEMBL8260296 0.84 PTPN5 (0.56) ARPTPN5PDK2
SCHEMBL20022104 0.84 PTPN5 (0.60) KIF11ARPTPN5MAOB
SCHEMBL20022132 0.84 PTPN5 (0.60) KIF11ARPTPN5MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 US disclosed
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 US disclosed
WO-2023156485-A1 TRIARYLALKYL BORATE SALTS AS COINITIATORS IN NIR PHOTOPOLYMER COMPOSITIONS COVESTRO DEUTSCHLAND AG (DE) 2023-08-24 WO disclosed
US-11236082-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-01 US disclosed
EP-3885343-A1 INDOLE COMPOUNDS AS EZH2 INHIBITORS AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2021-09-29 EP disclosed
US-10308653-B2 Diazepane derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-06-04 US disclosed
EP-2900642-B1 SUBSTITUTED SULFONAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-02-28 EP disclosed
US-9695149-B2 1,2,6-substituted benzimidazoles as flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-07-04 US disclosed
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-0931067-B1 D4 RECEPTOR SELECTIVITY PIPERAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2002-06-26 EP disclosed
EP-1122234-A9 Production methods of alpha, alpha, alpha-trifluoromethylphenyl-substituted benzoic acid and intermediate therefor SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2002-01-16 EP disclosed
US-20010020110-A1 Production methods of alpha, alpha, alpha-trifluoromethylphenyl-substituted benzoic acid and intermediate therefor SUMIKA FINE CHEMICALS CO., LTD. (JP) 2001-09-06 US disclosed
EP-1122234-A2 Production methods of alpha, alpha, alpha-trifluoromethylphenyl-substituted benzoic acid and intermediate therefor SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2001-08-08 EP disclosed
US-6258813-B1 BIOLOGICAL RECEPTORS WITH TETRAHYDROPIPERIZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT (DE) 2001-07-10 US disclosed
EP-0931067-A1 D4 RECEPTOR SELECTIVITY PIPERAZINE DERIVATIVES MERCK PATENT GmbH (DE) 1999-07-28 EP disclosed
WO-1998011068-A1 D4 RECEPTOR SELECTIVITY PIPERAZINE DERIVATIVES MERCK PATENT GMBH (DE) 1998-03-19 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 (7 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-10308653-B2 Diazepane derivatives and uses thereof BRDT, BRD4, BAZ2A KIF11 3507/4885AR 599/4885PTPN5 3992/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 KIF11 3946/4885AR 254/4885PTPN5 2283/4885
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE OCIAD1, OCIAD2, SLCO4C1 KIF11 755/4885AR 1888/4885PTPN5 4830/4885
US-20010020110-A1 Production methods of alpha, alpha, alpha-trifluoromethylphenyl-substituted benzoic acid and intermediate therefor SLC6A11, CYP4F11, SLC39A11 KIF11 1001/4885AR 4294/4885PTPN5 4675/4885
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRD3 KIF11 4340/4885AR 525/4885PTPN5 4221/4885
US-11236082-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 KIF11 3873/4885AR 2265/4885PTPN5 2420/4885
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF BRDT, BRD4, BAZ2A KIF11 3507/4885AR 599/4885PTPN5 3992/4885

“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.