SCHEMBL127564

SCHEMBL127564

CCOC(=O)c1cc[c]s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TSHR P16473 1/20 0.46
CA12 O43570 6/20 0.43
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
CA7 P43166 6/20 0.43
CA9 Q16790 6/20 0.43
CA14 Q9ULX7 6/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
CYP1A2 P05177 2/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAOA P21397 1/20 0.42
ALDH1A1 P00352 3/20 0.40

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
SCHEMBL28021722 0.98 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC6TSHR
SCHEMBL27769920 0.93 HDAC3 (0.42) HDAC3HDAC4HDAC1HDAC6TSHR
SCHEMBL127177 0.86 ALDH1A1 (0.49) TSHRESR1CYP1A2LMNACYP3A4
SCHEMBL10471051 0.85 ALDH1A1 (0.47) TSHRCDC7DBF4LMNAALDH1A1
SCHEMBL128695 0.83 TSHR (0.51) TSHRESR1CYP1A2LMNACYP3A4
SCHEMBL1641179 0.78 DGAT1 (0.38) HDAC3HDAC4HDAC1HDAC6
SCHEMBL4196673 0.75
SCHEMBL132083 0.74 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL7018973 0.74 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC6TSHR
SCHEMBL1356960 0.71 LMNA (0.38) TSHRLMNACYP3A4ALDH1A1KDM4E

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
US-4415566-A ANTIBIOTICS; BACTERIOSTATS; BACTERICIDES BOEHRINGER INGELHEIM GMBH (DE) 1983-11-15 US claimed
EP-0022494-B1 BETA-LACTAM-COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC AGENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1983-02-23 EP claimed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP disclosed
US-6407103-B2 POTENT ENZYME INHIBITORS OF CYCLIN-DEPENDENT KINASES RELATING TO THE CATALYTIC SUBUNITS CDK1-9 AND THEIR REGULATORY SUBUNITS CYCLINS A-H; ANTIPROLIFERATIVE, -CARCINOGENIC AND -TUMOR AGENTS; VIRICIDES; MODULATORS OF DNA/RNA BIOSYNTHESIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-18 US disclosed
US-20010027195-A1 Indeno [1,2-c]pyrazol-4-ones and their uses DUPONT PHARMACEUTICALS COMPANY 2001-10-04 US disclosed
US-6011037-A Thiazole derivatives with phosphodiesterase-inhibiting action BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-01-04 US disclosed
EP-0920426-A1 NEW THIAZOLE DERIVATIVES WITH PHOSPHODIESTERASE-INHIBITING EFFECT Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1999-06-09 EP disclosed
WO-1998008830-A1 THIAZOLE DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE-IV BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-03-05 WO disclosed
WO-1998008841-A1 NEW THIAZOLE DERIVATIVES WITH PHOSPHODIESTERASE-INHIBITING EFFECT BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-03-05 WO disclosed
US-4415566-A ANTIBIOTICS; BACTERIOSTATS; BACTERICIDES BOEHRINGER INGELHEIM GMBH (DE) 1983-11-15 US disclosed
US-4271071-A MONOAZO DYES FOR SYNTHETIC FIBERS EASTMAN KODAK COMPANY (US) 1981-06-02 US disclosed
US-4247458-A COUPLING DIAZONIUM SALT WITH DISPERSE DYE COUPLER WITH DISPLACEABLE GROUP OTHER THAN HYDROGEN EASTMAN KODAK COMPANY (US) 1981-01-27 US disclosed
US-4189428-A DYEABILITY, COLORFASTNESS, RESISTANCE TO SUBLIMATION, IMPROVED BRIGHTNESS EASTMAN KODAK COMPANY (US) 1980-02-19 US disclosed
US-4140683-A DISPERSE DYES FOR POLYESTERS EASTMAN KODAK COMPANY (US) 1979-02-20 US disclosed
US-4049643-A DYES FOR POLYESTERS EASTMAN KODAK COMPANY (US) 1977-09-20 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-20010027195-A1 Indeno [1,2-c]pyrazol-4-ones and their uses CDK1, CCNA1, CDK19 HDAC3 960/4885HDAC4 653/4885HDAC1 265/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 HDAC3 203/4885HDAC4 1278/4885HDAC1 561/4885

“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.