Sugi Predict

Sugi Predict / Compounds / SCHEMBL1124089

SCHEMBL1124089

SCHEMBL1124089

Cc1nc(/C=C/C(=O)O)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.52
▸ HDAC2 Q92769 5/20 0.52
▸ PTGER1 P34995 1/20 0.47
▸ HDAC3 O15379 4/20 0.45
▸ HDAC8 Q9BY41 4/20 0.45
▸ HDAC6 Q9UBN7 4/20 0.45
▸ HDAC4 P56524 3/20 0.45
▸ HDAC7 Q8WUI4 3/20 0.45
▸ HDAC10 Q969S8 3/20 0.45
▸ HDAC11 Q96DB2 3/20 0.45
▸ HDAC9 Q9UKV0 3/20 0.45
▸ HDAC5 Q9UQL6 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ GRM5 P41594 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL1124090 1.00 HDAC1 (0.52) HDAC1HDAC2PTGER1HDAC3HDAC8
SCHEMBL5671756 0.81 HDAC1 (0.52) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL6298271 0.81 HDAC1 (0.49) HDAC1HDAC2PTGER1HDAC3HDAC8
SCHEMBL6298272 0.81 HDAC1 (0.49) HDAC1HDAC2PTGER1HDAC3HDAC8
SCHEMBL5671760 0.81 HDAC1 (0.52) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL2575865 0.79 HDAC1 (0.69) HDAC1HDAC2PTGER1HDAC3HDAC8
SCHEMBL2575867 0.79 HDAC1 (0.69) HDAC1HDAC2PTGER1HDAC3HDAC8
SCHEMBL9331716 0.78 HDAC1 (0.47) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL10412422 0.78 HDAC1 (0.47) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL31324246 0.78 HDAC2 (0.45) HDAC1HDAC2PTGER1HDAC3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117355521-A Heteroaryl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 — — CN disclosed
EP-3134087-B1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2020-03-18 — — EP disclosed
EP-3134087-B1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2020-03-18 — — EP disclosed
US-9938258-B2 Substituted 2,3-dihydrobenzofuranyl compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2018-04-10 — — US disclosed
US-9938258-B2 Substituted 2,3-dihydrobenzofuranyl compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2018-04-10 — — US disclosed
US-9938258-B2 Substituted 2,3-dihydrobenzofuranyl compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2018-04-10 — — US disclosed
US-9688698-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-06-27 — — US disclosed
US-9688698-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-06-27 — — US disclosed
US-9688698-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-06-27 — — US disclosed
EP-3134087-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS Pfizer Inc. (US) 2017-03-01 — — EP disclosed
EP-2925750-A1 SUBSTITUTED 2,3-DIHYDROBENZOFURANYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics, Inc. (US) 2015-10-07 — — EP disclosed
WO-2014085607-A1 SUBSTITUTED 2,3-DIHYDROBENZOFURANYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2014-06-05 — — WO disclosed
WO-2014085607-A1 SUBSTITUTED 2,3-DIHYDROBENZOFURANYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2014-06-05 — — WO disclosed
EP-1806342-B1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2013-04-17 — — EP disclosed
US-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. 2012-08-16 — — US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 — — US disclosed
US-20110281869-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS AISSAOUI HAMED (FR) 2011-11-17 — — US disclosed
EP-2282996-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2011-02-16 — — EP disclosed
WO-2009141782-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2009-11-26 — — WO disclosed
US-20050288238-A1 Benzocyclodecane derivatives with antitumor activity PFIZER INC 2005-12-29 — — 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 (3 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-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES CNR2, CNR1, HRH4 HDAC1 829/4885HDAC2 782/4885PTGER1 110/4885
US-20110281869-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS QTRT2, RECQL, QTRT1 HDAC1 1796/4885HDAC2 1618/4885PTGER1 2066/4885
US-20050288238-A1 Benzocyclodecane derivatives with antitumor activity H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, OR10J3, BCL6 HDAC1 35/4885HDAC2 272/4885PTGER1 3509/4885

“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.