SCHEMBL18038984

SCHEMBL18038984

O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.48
▸ PKM P14618 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPT P10636 3/20 0.40
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CNR1 P21554 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
SCHEMBL18038966 0.93 HTT (0.52) HTTPKMGAACYP1A2CYP2D6
SCHEMBL18038982 0.92 HTT (0.52) HTTPKMGAACYP1A2CYP2D6
SCHEMBL30207105 0.92 GAA (0.47) HTTPKMGAACYP1A2CYP2D6
SCHEMBL18038967 0.92 GAA (0.47) HTTPKMGAACYP1A2CYP2D6
SCHEMBL18038998 0.91 GAA (0.46) HTTPKMGAACYP1A2CYP2D6
SCHEMBL18038953 0.86 L3MBTL1 (0.53) PKMGAACYP1A2CYP2D6CYP2C19
SCHEMBL18038988 0.86 HTT (0.46) HTTPKMGAACYP1A2CYP2D6
SCHEMBL18039017 0.86 POLB (0.51) PKMGAACYP1A2CYP2D6CYP2C19
SCHEMBL18038997 0.85 LMNA (0.52) HTTPKMGAACYP1A2CYP2D6
SCHEMBL18038954 0.84 L3MBTL1 (0.56) PKMGAACYP1A2CYP2D6CYP2C19

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 4729/4885PKM 1744/4885GAA 4692/4885
US-20200061039-A1 PYRIDINONE COMPOUND AND USE THEREOF DOCK5, DOCK2, CIB1 HTT 4697/4885PKM 1722/4885GAA 4691/4885
US-10406141-B2 Pyridinone compound and use thereof DOCK5, DOCK2, CIB1 HTT 4729/4885PKM 1744/4885GAA 4692/4885
US-11311523-B2 Pyridinone compound and use thereof DOCK5, DOCK2, CIB1 HTT 4697/4885PKM 1722/4885GAA 4691/4885

“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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