SCHEMBL2333429

SCHEMBL2333429

O=C(O)c1cccnc1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.63
CYP1A2 P05177 2/20 0.63
KMT2A Q03164 2/20 0.63
KDM4E B2RXH2 1/20 0.63
CYP2C19 P33261 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
P2RY1 P47900 14/20 0.61
CYP3A4 P08684 2/20 0.59
CYP2C9 P11712 2/20 0.59
GPBAR1 Q8TDU6 1/20 0.59
GMNN O75496 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
TTR P02766 1/20 0.55
PKM P14618 1/20 0.55
NFKB1 P19838 1/20 0.55
UGT1A1 P22309 1/20 0.55
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
PMP22 Q01453 1/20 0.55

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
SCHEMBL29991644 1.00 MEN1 (0.63) MEN1CYP1A2KMT2AKDM4ECYP2C19
SCHEMBL30166677 1.00 MEN1 (0.63) MEN1CYP1A2KMT2AKDM4ECYP2C19
SCHEMBL10969027 0.88 KDM4E (0.62) MEN1CYP1A2KMT2AKDM4ECYP2C19
SCHEMBL8177633 0.88 KDM4E (0.62) MEN1CYP1A2KMT2AKDM4ECYP2C19
SCHEMBL2785360 0.86 TDP1 (0.54) MEN1CYP1A2KMT2AKDM4ECYP2C19
SCHEMBL9122123 0.86 TDP1 (0.66) MEN1CYP1A2KMT2AKDM4ECYP2C19
SCHEMBL135002 0.85 P2RY1 (0.72) MEN1CYP1A2KMT2AKDM4ECYP2C19
SCHEMBL29549324 0.85 P2RY1 (0.72) MEN1CYP1A2KMT2AKDM4ECYP2C19
SCHEMBL7372993 0.84 TDP1 (0.52) MEN1CYP1A2KMT2AKDM4ECYP2C19
SCHEMBL7375948 0.83 KDM4E (0.57) MEN1CYP1A2KMT2AKDM4ECYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230346765-A1 METHODS OF TREATING XANTHINE OXIDASE-RELATED DISEASES WITH NIFLUMIC ACID AND DERIVATIVES THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2023-11-02 US disclosed
US-20230346765-A1 METHODS OF TREATING XANTHINE OXIDASE-RELATED DISEASES WITH NIFLUMIC ACID AND DERIVATIVES THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2023-11-02 US disclosed
EP-4121052-A1 METHODS OF TREATING XANTHINE OXIDASE-RELATED DISEASES WITH NIFLUMIC ACID AND DERIVATIVES THEREOF Baylor College of Medicine (US) 2023-01-25 EP disclosed
CN-113171742-B A agitating unit for diflufenican production 浙江南郊化学有限公司 2022-10-11 CN disclosed
WO-2021188296-A1 METHODS OF TREATING XANTHINE OXIDASE-RELATED DISEASES WITH NIFLUMIC ACID AND DERIVATIVES THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2021-09-23 WO disclosed
CN-113171742-A A agitating unit for diflufenican production 浙江南郊化学有限公司 2021-07-27 CN disclosed
US-8309734-B2 Substituted pyridines as GPBAR1 agonists HOFFMANN-LA ROCHE INC. (US) 2012-11-13 US disclosed
EP-2356094-A1 NOVEL PHENYL AMIDE OR PYRIDIL AMIDE DERIVATIVES AND THEIR USE AS GPBAR1 AGONISTS F. Hoffmann-La Roche AG (CH) 2011-08-17 EP disclosed
WO-2010091104-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS EXELIXIS, INC. (US) 2010-08-12 WO disclosed
CN-101709052-A Preparation method of 2-(3-trifluoromethyl phenoxy) niacin NANJING FIRST AGRICULTURAL CHE 2010-05-19 CN disclosed
US-20100105906-A1 NOVEL PHENYL AMIDE OR PYRIDYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2010-04-29 US disclosed
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
WO-2001023356-A1 SUBSTITUTED N-PHENYL-PHENOXY NICOTINIC ACID-(THIO) AMIDES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-04-05 WO disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 WO disclosed
US-4618366-A Certain N-(2,4-difluorophenyl)-2-(3-trifluoromethylphenoxy)-nicotinamides having herbicidal activity MAY & BAKER LIMITED (GB) 1986-10-21 US disclosed
EP-0053011-B1 NEW HERBICIDAL NICOTINAMIDE DERIVATIVES MAY & BAKER LIMITED (GB) 1985-04-03 EP disclosed
EP-0053011-A1 New herbicidal nicotinamide derivatives MAY & BAKER LIMITED (GB) 1982-06-02 EP disclosed
US-4327218-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1982-04-27 US disclosed
US-4251263-A N-substituted, 2-phenoxynicotinamide compounds and the herbicidal use thereof STAUFFER CHEMICAL COMPANY (US) 1981-02-17 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 (2 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-20230346765-A1 METHODS OF TREATING XANTHINE OXIDASE-RELATED DISEASES WITH NIFLUMIC ACID AND DERIVATIVES THEREOF XDH, PNPO, PNP MEN1 3315/4885CYP1A2 785/4885KMT2A 4069/4885
US-20100105906-A1 NOVEL PHENYL AMIDE OR PYRIDYL AMIDE DERIVATIVES GPBAR1, GPR119, GLP1R MEN1 3165/4885CYP1A2 296/4885KMT2A 2525/4885

“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.