SCHEMBL3521485

SCHEMBL3521485

Nc1cc(Cl)ccc1Sc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 5/20 0.54
▸ PDE7B Q9NP56 2/20 0.54
▸ SLC6A2 P23975 1/20 0.53
▸ SLC6A4 P31645 1/20 0.53
▸ SLC6A3 Q01959 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.48
▸ HPGD P15428 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ MAPK1 P28482 2/20 0.46
▸ ALOX15 P16050 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ TDP1 Q9NUW8 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
SCHEMBL2850872 0.88 HPGD (0.58) PDE7APDE7BSLC6A2SLC6A4SLC6A3
SCHEMBL27955 0.85 PDE7A (0.54) PDE7APDE7BALDH1A1HPGDL3MBTL1
SCHEMBL9629853 0.83 SLC6A2 (0.57) PDE7APDE7BSLC6A2SLC6A4SLC6A3
SCHEMBL3784717 0.82 PDE7A (0.59) PDE7APDE7BALDH1A1HPGDL3MBTL1
Hydrochloric Acid SCHEMBL19875091 0.81 PDE7A (0.51) PDE7APDE7BALDH1A1HPGDL3MBTL1
SCHEMBL9631752 0.80 ALDH1A1 (0.61) PDE7APDE7BSLC6A2SLC6A4SLC6A3
SCHEMBL29217096 0.80 ALDH1A1 (0.47) PDE7ASLC6A4ALDH1A1HPGDL3MBTL1
SCHEMBL10767306 0.79 SLC6A2 (0.59) PDE7ASLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL6516382 0.78 PDE7A (0.56) PDE7APDE7BALDH1A1HPGDL3MBTL1
SCHEMBL3790365 0.77 KDM4E (0.55) PDE7APDE7BSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005739-B2 Quinazolinone and isoquinolinone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2018-06-26 — — US disclosed
US-10005739-B2 Quinazolinone and isoquinolinone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2018-06-26 — — US disclosed
US-10005739-B2 Quinazolinone and isoquinolinone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2018-06-26 — — US disclosed
US-9550746-B2 Benzofuran-2-sulfonamides derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-01-24 — — US disclosed
US-9550746-B2 Benzofuran-2-sulfonamides derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-01-24 — — US disclosed
US-9550746-B2 Benzofuran-2-sulfonamides derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-01-24 — — US disclosed
US-20160272595-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-09-22 — — US disclosed
US-20160272595-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-09-22 — — US disclosed
US-20160272595-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-09-22 — — US disclosed
EP-3061749-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2016-08-31 — — EP disclosed
WO-1994029286-A1 ANALGESIC DIBENZOXAZEPINES AND DIBENZOTHIAZEPINES G.D. SEARLE & CO. (US) 1994-12-22 — — WO disclosed
US-5354747-A Analgesics G. D. SEARLE & CO. (US) 1994-10-11 — — US disclosed
US-5304644-A 1-,2-,3-,4-,5-,6-,7-,8- and/or 9 substituted dibenzoxazepine compounds, pharmaceutical compositions and methods for treating pain G. D. SEARLE & CO. (US) 1994-04-19 — — US disclosed
EP-0583408-A1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1994-02-23 — — EP disclosed
US-5283240-A Administering prostaglandin antagonists G. D. SEARLE & CO. (US) 1994-02-01 — — US disclosed
US-5182272-A 8-substituted-dibenz[b,f][1,4]oxazepine-10(11)-carboxylic acid, substituted hydrazides, pharmaceutical compositions, and methods for treating pain G. D. SEARLE & CO. (US) 1993-01-26 — — US disclosed
WO-1992019605-A1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G. D. SEARLE & CO. (US) 1992-11-12 — — WO disclosed
EP-0512399-A1 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use G.D. Searle & Co. (US) 1992-11-11 — — EP disclosed
US-4163059-A Pesticidally active 4,5-dichloro-3-substituted-phenylimino-1,2-dithiolenes BAYER AKTIENGESELLSCHAFT (DE) 1979-07-31 — — US disclosed
US-3957769-A DIURETICS, CENTRAL NERVOUS SYSTEM DEPRESSANTS E. R. SQUIBB & SONS, INC. (US) 1976-05-18 — — 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 (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-20160272595-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE NQO2, SDHA, CYP3A5 PDE7A 752/4885PDE7B 232/4885SLC6A2 424/4885
US-10005739-B2 Quinazolinone and isoquinolinone derivative NQO2, SDHA, CYP3A5 PDE7A 752/4885PDE7B 232/4885SLC6A2 424/4885

“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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