SCHEMBL18038992

SCHEMBL18038992

O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1ccc(-c2ccc(Cl)cc2C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ GAA P10253 3/20 0.41
▸ POLB P06746 3/20 0.41
▸ NSD2 O96028 1/20 0.41
▸ PKM P14618 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL18038960 0.87 ALDH1A1 (0.46) HTTALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL18038996 0.86 ALDH1A1 (0.45) HTTALDH1A1MAPTMAPK1NPSR1
SCHEMBL18038988 0.86 HTT (0.46) HTTALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL18039011 0.86 ALDH1A1 (0.44) HTTALDH1A1MAPTMAPK1NPSR1
SCHEMBL18038949 0.85 GAA (0.50) HTTALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL18038995 0.84 ALDH1A1 (0.49) HTTALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL18038966 0.82 HTT (0.52) HTTALDH1A1MAPTL3MBTL1GAA
SCHEMBL18038957 0.82 ALDH1A1 (0.46) HTTALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL18038984 0.82 HTT (0.48) HTTALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL18038982 0.81 HTT (0.52) HTTALDH1A1L3MBTL1GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11311523-B2 Pyridinone compound and use thereof KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2022-04-26 — — US disclosed
EP-3692992-A1 METHOD OF SCREENING DOCK1-SELECTIVE INHIBITORS FOR CANCER TREATMENT Kyushu University National University Corporation (JP) 2020-08-12 — — EP disclosed
EP-3263133-B1 PYRIDINONE COMPOUND AND USE THEREOF UNIV KYUSHU NAT UNIV CORP (JP) 2020-04-01 — — EP disclosed
US-20200061039-A1 PYRIDINONE COMPOUND AND USE THEREOF KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2020-02-27 — — US disclosed
US-10406141-B2 Pyridinone compound and use thereof KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2019-09-10 — — US disclosed
US-20180028515-A1 PYRIDINONE COMPOUND AND USE THEREOF KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2018-02-01 — — US disclosed
EP-3263133-A1 PYRIDINONE COMPOUND AND USE THEREOF Kyushu University, National University Corporation (JP) 2018-01-03 — — EP disclosed
WO-2016136985-A1 PYRIDINONE COMPOUND AND USE THEREOF 国立大学法人九州大学 2016-09-01 — — WO 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 (4 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-20180028515-A1 PYRIDINONE COMPOUND AND USE THEREOF DOCK5, DOCK2, CIB1 HTT 4729/4885ALDH1A1 52/4885MAPT 4204/4885
US-20200061039-A1 PYRIDINONE COMPOUND AND USE THEREOF DOCK5, DOCK2, CIB1 HTT 4697/4885ALDH1A1 49/4885MAPT 4226/4885
US-10406141-B2 Pyridinone compound and use thereof DOCK5, DOCK2, CIB1 HTT 4729/4885ALDH1A1 52/4885MAPT 4204/4885
US-11311523-B2 Pyridinone compound and use thereof DOCK5, DOCK2, CIB1 HTT 4697/4885ALDH1A1 49/4885MAPT 4226/4885

“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.

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