SCHEMBL2645324

SCHEMBL2645324

O=C(Cc1ccncc1)c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.58
▸ RAB9A P51151 2/20 0.54
▸ NAMPT P43490 3/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ PTPN1 P18031 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ MAPK14 Q16539 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TAAR1 Q96RJ0 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HTR7 P34969 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PLOD2 O00469 1/20 0.44
▸ CES2 O00748 1/20 0.43
▸ CES1 P23141 1/20 0.43

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
Hydrochloric Acid SCHEMBL5253545 0.98 LTA4H (0.56) LTA4HRAB9ANAMPTL3MBTL1PTPN1
SCHEMBL1993655 0.93 L3MBTL1 (0.58) LTA4HRAB9ANAMPTL3MBTL1PTPN1
SCHEMBL7143886 0.92 RAB9A (0.51) LTA4HRAB9ANAMPTL3MBTL1PTPN1
SCHEMBL6203734 0.86 ALDH1A1 (0.55) RAB9AL3MBTL1CYP3A4NPC1MEN1
SCHEMBL6201900 0.86 RAB9A (0.59) RAB9AL3MBTL1PTPN1NPC1MAPK1
SCHEMBL7996829 0.85 HTR7 (0.51) LTA4HRAB9ANAMPTL3MBTL1PTPN1
SCHEMBL6775249 0.83 NPC1 (0.62) RAB9AL3MBTL1PTPN1CYP3A4NPC1
SCHEMBL6282286 0.82 PTPN1 (0.56) NAMPTPTPN1MAPTPLOD2CES2
SCHEMBL4102938 0.81 L3MBTL1 (0.68) RAB9ANAMPTL3MBTL1CYP3A4MAPK14
SCHEMBL7433779 0.81 LMNA (0.58) RAB9AL3MBTL1NPC1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151256-B Novel compounds for the treatment of diseases associated with DUX4 expression 因维戈疗法有限公司 2024-08-20 — — CN disclosed
US-20230052017-A1 New compounds for treatment of diseases related to DUX4 expression Facio Intellectual Property B.V. (NL) 2023-02-16 — — US disclosed
EP-4065107-A1 NEW COMPOUNDS FOR TREATMENT OF DISEASES RELATED TO DUX4 EXPRESSION Facio Intellectual Property B.V. (NL) 2022-10-05 — — EP disclosed
CN-115151256-A Novel compounds for the treatment of diseases associated with DUX expression FACIO知识产权有限公司 2022-10-04 — — CN disclosed
US-20220227735-A1 THERAPEUTIC METHODS AND COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-07-21 — — US disclosed
WO-2021105474-A1 NEW COMPOUNDS FOR TREATMENT OF DISEASES RELATED TO DUX4 EXPRESSION Facio Intellectual Property B.V. (NL) 2021-06-03 — — WO disclosed
WO-2020219591-A1 THERAPEUTIC METHODS AND COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-10-29 — — WO disclosed
US-8536194-B2 Pyrazolopyridine derivates PALAU PHARMA, S.A. (ES) 2013-09-17 — — US disclosed
EP-1553096-B1 PYRAZOLE COMPOUNDS UBE INDUSTRIES (JP) 2012-10-31 — — EP disclosed
US-7964534-B2 Nuclear magnetic resonance assembly of chemical entities using advanced antenna probes TRIAD LIQUIDATING COMPANY, LLC (US) 2011-06-21 — — US disclosed
US-5296479-A Treating physiological or drug-induced psychosis or dyskinesia THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-03-22 — — US disclosed
US-5266572-A Antipsychotic 1-cycloalkylpiperidines THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-11-30 — — US disclosed
US-5243048-A Treatment of drug-induced or physiological psychosis or dyskinesia; side effect reduction THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-09-07 — — US disclosed
WO-1993014081-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-07-22 — — WO disclosed
EP-0531901-A2 Condensed pyrazole derivatives with interleukin-1 and tumour necrosis factor inhibitory activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-17 — — EP disclosed
EP-0490962-A1 ANTIPSYCHOTIC 1-CYCLOALKYLPIPERIDINES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-06-24 — — EP disclosed
US-5116846-A N-ARALKYL PIPERIDINE DERIVATIVES AS PSYCHOTROPIC DRUGS DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-05-26 — — US disclosed
US-5109002-A ANTIPSYCHOTIC 1-CYCLOALKYLPIPERIDINES DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-04-28 — — US disclosed
EP-0449186-A2 N-aralkyl piperidine derivatives as psychotropic drugs THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-10-02 — — EP disclosed
WO-1991003243-A1 ANTIPSYCHOTIC 1-CYCLOALKYLPIPERIDINES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-03-21 — — 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 (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-20230052017-A1 New compounds for treatment of diseases related to DUX4 expression SMN1; SMN2, UTRN, DDX21 LTA4H 3217/4885RAB9A 827/4885NAMPT 1562/4885
US-20220227735-A1 THERAPEUTIC METHODS AND COMPOUNDS REN, FURIN, QTRT1 LTA4H 3380/4885RAB9A 259/4885NAMPT 1413/4885

“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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