SCHEMBL2473546

SCHEMBL2473546

Nc1ccc(F)cc1C(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.67
MAPT P10636 4/20 0.64
POLB P06746 1/20 0.64
GAA P10253 1/20 0.63
LMNA P02545 2/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
HDAC1 Q13547 1/20 0.53
MAPK14 Q16539 2/20 0.50
HDAC2 Q92769 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
GLA P06280 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PBRM1 Q86U86 1/20 0.47
AKR1C3 P42330 1/20 0.47
FADS1 O60427 1/20 0.47

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
SCHEMBL29611914 1.00 KEAP1 (0.67) KEAP1MAPTPOLBGAALMNA
SCHEMBL10948187 0.91 KEAP1 (0.63) KEAP1MAPTPOLBGAALMNA
SCHEMBL1741449 0.87 MAPT (0.61) KEAP1MAPTPOLBGAALMNA
Methane SCHEMBL27516887 0.86 MAPT (0.59) KEAP1MAPTPOLBGAALMNA
SCHEMBL344086 0.84 LTA4H (0.58) KEAP1MAPTPOLBGAALMNA
SCHEMBL5963060 0.84 KEAP1 (0.56) KEAP1MAPTPOLBGAAMAPK1
SCHEMBL10396352 0.84 MAPT (0.67) KEAP1MAPTPOLBGAALMNA
SCHEMBL21194002 0.84 MAPT (0.53) KEAP1MAPTPOLBGAALMNA
SCHEMBL31344402 0.84 MAPT (0.53) KEAP1MAPTPOLBGAALMNA
SCHEMBL333382 0.83 CES2 (0.59) KEAP1MAPTGAAHDAC1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250197360-A1 NOVEL DIAZEPINES THAT TARGET YELLOW FEVER VIRUS NON-STRUCTURAL 4B (NS4B) PROTEIN AND THEIR METHOD OF USE BARUCH S. BLUMBERG INSTITUTE 2025-06-19 US disclosed
WO-2023172726-A1 NOVEL DIAZEPINES THAT TARGET YELLOW FEVER VIRUS NON-STRUCTURAL 4B (NS4B) PROTEIN AND THEIR METHOD OF USE BARUCH S. BLUMBERG INSTITUTE (US) 2023-09-14 WO disclosed
WO-2023172726-A1 NOVEL DIAZEPINES THAT TARGET YELLOW FEVER VIRUS NON-STRUCTURAL 4B (NS4B) PROTEIN AND THEIR METHOD OF USE BARUCH S. BLUMBERG INSTITUTE (US) 2023-09-14 WO disclosed
EP-3492452-B1 PRODUCTION METHOD FOR PYRAZOLE-AMIDE COMPOUND JAPAN TOBACCO INC (JP) 2022-08-31 EP disclosed
CN-114805133-A Aryl chloroformate preparation method 苏州星日化学有限公司 2022-07-29 CN disclosed
EP-3510025-B1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2022-06-29 EP disclosed
EP-3510025-B1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2022-06-29 EP disclosed
CN-110248934-B Heteroaryl PAD4 inhibitors 帕德罗科治疗公司 2022-05-24 CN disclosed
US-20210299115-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-09-30 US disclosed
US-20210299115-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-09-30 US disclosed
US-5532374-A Method of preparation of bis-quinolines HITACHI CHEMICAL COMPANY, LTD. (JP) 1996-07-02 US disclosed
EP-0530994-A1 Quinazoline derivatives as inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1993-03-10 EP disclosed
WO-1993004047-A1 QUINAZOLINE DERIVATIVES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO., INC. (US) 1993-03-04 WO disclosed
US-4169150-A MUSCLE RELAXANTS, HYPNOSIS, ANTICONVULSANTS, SEDATIVES TEIJIN LIMITED (JP) 1979-09-25 US disclosed
US-4118384-A DIAZOTIZATION BAYER AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed
US-4111950-A Triazolyl benzophenones CIBA-GEIGY CORPORATION (US) 1978-09-05 US disclosed
US-3992400-A 1-(α-Phenyl-o-tolyl)imidazoles THE UPJOHN COMPANY (US) 1976-11-16 US disclosed
US-3947466-A ANTIDEPRESSANTS, ANTIANXIETY THE UPJOHN COMPANY (US) 1976-03-30 US disclosed
US-3941803-A 2-(Imidazol-1-yl)benzophenones THE UPJOHN COMPANY (US) 1976-03-02 US disclosed
US-3941802-A 2-(Imidazol-1-yl)benzophenones THE UPJOHN COMPANY (US) 1976-03-02 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-20210299115-A1 HETEROARYL INHIBITORS OF PAD4 PADI4, PADI1, PADI6 KEAP1 1587/4885MAPT 3883/4885POLB 734/4885
US-20250197360-A1 NOVEL DIAZEPINES THAT TARGET YELLOW FEVER VIRUS NON-STRUCTURAL 4B (NS4B) PROTEIN AND THEIR METHOD OF USE CUL4B, BRD4, CUL4A KEAP1 128/4885MAPT 400/4885POLB 2125/4885

“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.