SCHEMBL184987

SCHEMBL184987

COc1ccc(C(=O)Cl)cc1OCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.71
HDAC1 Q13547 2/20 0.71
HDAC8 Q9BY41 2/20 0.71
HDAC6 Q9UBN7 2/20 0.71
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
HPGD P15428 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
RXRA P19793 1/20 0.61
ATM Q13315 1/20 0.59
MRGPRX4 Q96LA9 2/20 0.58
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ABCB1 P08183 1/20 0.54

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
SCHEMBL341137 0.94 NPC1 (0.73) SMPD1HDAC1HDAC8HDAC6NPC1
SCHEMBL1599431 0.91 HPGD (0.59) SMPD1HDAC1HDAC8HDAC6NPC1
SCHEMBL29557477 0.91 HPGD (0.59) SMPD1HDAC1HDAC8HDAC6NPC1
SCHEMBL1029034 0.88 SMPD1 (0.75) SMPD1HDAC1HDAC8HDAC6NPC1
SCHEMBL29375753 0.88 SMPD1 (0.75) SMPD1HDAC1HDAC8HDAC6NPC1
SCHEMBL3944668 0.87 MRGPRX4 (0.59) SMPD1HDAC1HDAC8HDAC6NPC1
SCHEMBL11271923 0.87 SMPD1 (0.73) SMPD1HDAC1HDAC8HDAC6NPC1
SCHEMBL4270566 0.87 SMPD1 (0.73) SMPD1HDAC1HDAC8HDAC6NPC1
SCHEMBL9236564 0.87 SMPD1 (0.73) SMPD1HDAC1HDAC8HDAC6NPC1
Hydrochloric Acid SCHEMBL6586504 0.87 SMPD1 (0.73) SMPD1HDAC1HDAC8HDAC6NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340522-B2 Pyrazolone-derivatives and their use as PDE-4 inhibitors TAKEDA GMBH (DE) 2016-05-17 US disclosed
CN-103463086-B Pyrazolone derivatives as PDE4 inhibitors TAKEDA GMBH (DE) 2015-10-21 CN disclosed
EP-2356103-B1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS TAKEDA GMBH (DE) 2015-08-26 EP disclosed
US-9090597-B2 Pyrazolone derivatives as PDE4 inhibitors TAKEDA GMBH (DE) 2015-07-28 US disclosed
US-8946438-B2 Benzamides, production thereof, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 US disclosed
US-20140378509-A1 PYRAZOLONE DERIVATIVES AS PDE4 INHIBITORS TAKEDA GMBH (DE) 2014-12-25 US disclosed
US-8865745-B2 Pyrazolone derivatives as PDE4 inhibitors TAKEDA GMBH (DE) 2014-10-21 US disclosed
CN-102369194-B Pyrazolone derivatives and their use as PD4 inhibitors NYCOMED GMBH 2014-08-27 CN 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
WO-1999059959-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 1999-11-25 WO disclosed
WO-1999032456-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 1999-07-01 WO disclosed
EP-0057846-B1 PYRROLIDINE DERIVATIVE, PROCESS AND INTERMEDIATES FOR ITS PREPARATION AND MEDICAMENTS CONTAINING IT F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-06-05 EP disclosed
US-4461906-A IMPROVING INTELLECTUAL CAPACITY HOFFMANN-LA ROCHE INC. (US) 1984-07-24 US disclosed
EP-0110575-A1 1-Aroyl-5-oxo-2-pyrrolidinepropanoic acids and related esters WARNER-LAMBERT COMPANY (US) 1984-06-13 EP disclosed
US-4452807-A CENTRAL NERVOUS SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. (US) 1984-06-05 US disclosed
US-4452990-A TREATMENT OF SENILITY, AMNESIA AND MOTIVATION WARNER-LAMBERT COMPANY (US) 1984-06-05 US disclosed
EP-0024030-B1 PYRROLIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-03-30 EP disclosed
EP-0057846-A1 Pyrrolidine derivative, process and intermediates for its preparation and medicaments containing it F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-08-18 EP disclosed
EP-0024030-A1 Pyrrolidine derivatives, processes for their preparation and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-02-18 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-20140187539-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS HRH2, HRH1, HRH4 SMPD1 908/4885HDAC1 531/4885HDAC8 426/4885
US-20140378509-A1 PYRAZOLONE DERIVATIVES AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4D SMPD1 118/4885HDAC1 173/4885HDAC8 241/4885

“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.