SCHEMBL2328579

SCHEMBL2328579

CC(=O)Nc1cccc(C(=O)Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
HSD17B10 Q99714 2/20 0.59
CYP1A2 P05177 1/20 0.59
RAB9A P51151 4/20 0.58
TP53 P04637 2/20 0.58
NPC1 O15118 1/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
POLB P06746 1/20 0.54
NR4A1 P22736 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NAPRT Q6XQN6 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL474709 0.86 KMT2A (0.70) ALDH1A1HSD17B10CYP1A2RAB9ATP53
SCHEMBL31022695 0.83 MEN1 (0.62) ALDH1A1HSD17B10CYP1A2RAB9ATP53
SCHEMBL758991 0.83 MEN1 (0.62) ALDH1A1HSD17B10CYP1A2RAB9ATP53
SCHEMBL2615685 0.82 CYP1A2 (0.53) ALDH1A1CYP1A2RAB9ANPC1LMNA
SCHEMBL1901172 0.82 ALDH1A1 (0.76) ALDH1A1HSD17B10CYP1A2RAB9ATP53
SCHEMBL24548087 0.81 TDP1 (0.62) ALDH1A1HSD17B10CYP1A2RAB9ATP53
Acetic Acid SCHEMBL6444184 0.81 MEN1 (0.60) ALDH1A1HSD17B10CYP1A2RAB9ATP53
SCHEMBL895009 0.81 PARP1 (0.63) ALDH1A1HSD17B10CYP1A2RAB9ATP53
SCHEMBL7041993 0.81 ALDH1A1 (0.59) ALDH1A1HSD17B10CYP1A2RAB9ATP53
SCHEMBL29761319 0.81 PARP1 (0.63) ALDH1A1HSD17B10CYP1A2RAB9ATP53

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023202583-A1 FXR REGULATOR AND USE THEREOF 北京大学 2023-10-26 WO disclosed
CN-116903559-A FXR modulators and uses thereof 北京大学 2023-10-20 CN disclosed
US-9340522-B2 Pyrazolone-derivatives and their use as PDE-4 inhibitors TAKEDA GMBH (DE) 2016-05-17 US disclosed
EP-2356103-B1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS TAKEDA GMBH (DE) 2015-08-26 EP disclosed
CN-102369194-B Pyrazolone derivatives and their use as PD4 inhibitors NYCOMED GMBH 2014-08-27 CN disclosed
US-20140073672-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS TAKEDA GMBH (DE) 2014-03-13 US disclosed
US-8609848-B2 Pyrazolone-derivatives and their use as PDE-4 inhibitors TAKEDA GMBH (DE) 2013-12-17 US disclosed
CN-102369194-A Novel pyrazolone derivatives and their use as PD4 inhibitors NYCOMED GMBH 2012-03-07 CN disclosed
US-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS NYCOMED GMBH (DE) 2011-09-08 US disclosed
EP-2356103-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS Nycomed GmbH (DE) 2011-08-17 EP disclosed
WO-2010055083-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS NYCOMED GMBH (DE) 2010-05-20 WO disclosed
EP-0718277-B1 Method for producing 5-substituted-2-acylaminophenols, and 5-alkyl-2-acylaminophenol compound and N-acyl-N-(4-alkyl-phenyl)hydroxylamine compound FUJI PHOTO FILM CO LTD (JP) 1999-07-21 EP disclosed
EP-0718277-A1 Method for producing 5-substituted-2-acylaminophenols, and 5-alkyl-2-acylaminophenol compound and N-acyl-N-(4-alkyl-phenyl)hydroxylamine compound FUJI PHOTO FILM CO., LTD. (JP) 1996-06-26 EP disclosed
EP-0352222-B1 Fibre-reactive formazane dyes, process for their preparation and their use CIBA GEIGY AG (CH) 1994-05-25 EP disclosed
US-5114430-A Colorfast dyes that react with fibers to form red, orange or red color CIBA-GEIGY CORPORATION (US) 1992-05-19 US disclosed
US-4994562-A Colorfast; for dyeing wool, silk CIBA-GEIGY CORPORATION (US) 1991-02-19 US disclosed
EP-0405101-A1 Reactive dyes BAYER AG (DE) 1991-01-02 EP disclosed
EP-0399292-A1 Reactive dyes BAYER AG (DE) 1990-11-28 EP disclosed
EP-0352222-A2 Fibre-reactive formazane dyes, process for their preparation and their use CIBA-GEIGY AG (CH) 1990-01-24 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 (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-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS PDE4A, PDE3B, PDE3A ALDH1A1 344/4885HSD17B10 199/4885CYP1A2 237/4885
US-20140073672-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS PDE4A, PDE3B, PDE3A ALDH1A1 344/4885HSD17B10 199/4885CYP1A2 237/4885

“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.