SCHEMBL1198034

SCHEMBL1198034

O=C1CCc2cc(C(=O)CBr)ccc2N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 5/20 0.51
SMYD3 Q9H7B4 1/20 0.51
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
GRIN2B Q13224 1/20 0.50
HTR1A P08908 2/20 0.48
HTR2A P28223 2/20 0.48
HTR7 P34969 2/20 0.48
DRD3 P35462 2/20 0.48
DRD4 P21917 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
EPHX2 P34913 1/20 0.45
NPC1 O15118 1/20 0.45
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45

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
SCHEMBL29003155 0.91 AKR1C4 (0.51) CRBNSMYD3HDAC3HDAC4HDAC1
SCHEMBL3605158 0.88 CA9 (0.51) CRBNSMYD3NPC1MAPK13MAPK12
SCHEMBL2306726 0.86 EPHX2 (0.59) SMYD3HDAC3GRIN2BHTR1AHTR2A
SCHEMBL2641172 0.85 CRBN (0.51) CRBNSMYD3HDAC3HDAC4HDAC1
SCHEMBL1145012 0.85 ALDH1A1 (0.55) CRBNSMYD3HDAC3HDAC4HDAC1
SCHEMBL7341659 0.85 SMYD3 (0.54) CRBNSMYD3HDAC3HDAC4HDAC1
SCHEMBL5460664 0.85 CRBN (0.53) CRBNSMYD3HDAC3HDAC4HDAC1
SCHEMBL2641171 0.85 CRBN (0.51) CRBNSMYD3HDAC3HDAC4HDAC1
SCHEMBL4859545 0.85 HDAC3 (0.57) CRBNSMYD3HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL6197504 0.84 SMYD3 (0.53) CRBNSMYD3HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115974850-B Compound serving as AKR1C3 inhibitor as well as preparation method and application thereof 中国药科大学 2024-08-06 CN disclosed
CN-115974850-A Compound serving as AKR1C3 inhibitor and preparation method and application thereof 中国药科大学 2023-04-18 CN disclosed
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa ONO PHARMACEUTICAL CO., LTD. (JP) 2020-07-21 US disclosed
EP-3290413-B9 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2020-04-29 EP disclosed
EP-3290413-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2019-11-13 EP disclosed
EP-3290413-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2018-03-07 EP disclosed
US-20170305917-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2017-10-26 US disclosed
US-9732085-B2 Pyridinone and pyrimidinone derivatives as factor Xia ONO PHARMACEUTICAL CO., LTD. (JP) 2017-08-15 US disclosed
US-20150152112-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-04 US disclosed
EP-2794597-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2014-10-29 EP disclosed
US-4818755-A Bicyclic heteroaryl thiazole compounds, cardiotonic compositions including the same, and their uses RORER PHARMACEUTICAL CORPORATON (US) 1989-04-04 US disclosed
US-4810712-A ADRENERGIC BLOCKING AGENTS BEIERSDORF AG (DE) 1989-03-07 US disclosed
EP-0207140-A4 BICYCLIC HETEROARYL THIAZOLE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES. RORER INTERNAT OVERSEAS INC (US) 1987-06-15 EP disclosed
EP-0207140-A1 BICYCLIC HETEROARYL THIAZOLE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES RORER INTERNATIONAL (OVERSEAS) INC. (a Delaware corporation) (US) 1987-01-07 EP disclosed
US-4619932-A CENTRAL NERVOUS SYSTEM CONTROLLERS; ANTI-SCHIZOPHRENIA AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-10-28 US disclosed
WO-1986003749-A1 BICYCLIC HETEROARYL THIAZOLE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES RORER INTERNATIONAL (OVERSEAS) INC. (US) 1986-07-03 WO disclosed
EP-0175293-A1 Bicyclic lactames, processes for their preparation, their use and compositions containing them Beiersdorf Aktiengesellschaft (DE) 1986-03-26 EP disclosed
US-4567187-A CENTRAL NERVOUS SYSTEM OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-01-28 US disclosed
US-4460593-A Carbostyril derivatives, and central nervous system controlling agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-07-17 US disclosed
US-4455422-A ANTIHISTAMINES, CNS CONTROLLERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-19 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-20150152112-A1 COMPOUNDS F11, F12, F10 CRBN 3224/4885SMYD3 4301/4885HDAC3 710/4885
US-20170305917-A1 COMPOUNDS F11, F12, F10 CRBN 3224/4885SMYD3 4301/4885HDAC3 710/4885
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa F11, TFPI, F10 CRBN 2950/4885SMYD3 3941/4885HDAC3 2532/4885

“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.