Sugi Predict

Sugi Predict / Compounds / SCHEMBL3140637

SCHEMBL3140637

SCHEMBL3140637

CNc1cccc(COC)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.46
▸ KDM1A O60341 2/20 0.42
▸ MAOB P27338 1/20 0.42
▸ RCOR1 Q9UKL0 1/20 0.42
▸ TSHR P16473 1/20 0.39
▸ IDO1 P14902 4/20 0.39
▸ AGXT P21549 2/20 0.39
▸ FFAR1 O14842 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ SIRT3 Q9NTG7 1/20 0.36
▸ ERN1 O75460 1/20 0.36

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
SCHEMBL16339614 0.81 MAPT (0.54) KDM1AMAOBRCOR1TSHR
SCHEMBL7547794 0.81 APP (0.44) APPTSHRIDO1AGXTSIRT2
SCHEMBL18905641 0.81 TSHR (0.48) APPTSHR
SCHEMBL487468 0.80 IDO1 (0.48) MAOBIDO1AGXTFFAR1ERN1
SCHEMBL11218410 0.79 TDP1 (0.45) KDM1AMAOBRCOR1TSHRIDO1
SCHEMBL29072770 0.78 APP (0.42) APPMAOBTSHRIDO1AGXT
SCHEMBL30230338 0.78 APP (0.56) APPMAOB
SCHEMBL24801338 0.77 PTPN1 (0.43) APP
SCHEMBL3617649 0.77 RAPGEF4 (0.55) TSHR
SCHEMBL16230241 0.77 APP (0.41) APPSIRT2SIRT1SIRT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023178641-A1 DNA TOXIC DIMER COMPOUND AND CONJUGATE THEREOF 成都百利多特生物药业有限责任公司 2023-09-28 — — WO disclosed
EP-1944305-B1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LTD (GB) 2011-10-19 — — EP disclosed
EP-1555257-B1 PROCESS FOR PRODUCING AROMATIC NITRILE COMPOUND IHARA CHEMICAL IND CO (JP) 2010-01-20 — — EP disclosed
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors BALDWIN IAN ROBERT 2009-12-17 — — US disclosed
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors BALDWIN IAN ROBERT 2009-12-17 — — US disclosed
US-7572915-B2 4-[(3-methylphenyl)amino]-6-(methylsulfonyl)-3-quinolinecarboxamide; asthma, COPD, allergic rhinitis, or rheumatoid arthritis in a human GLAXO GROUP LIMITED (GB) 2009-08-11 — — US disclosed
US-7572915-B2 4-[(3-methylphenyl)amino]-6-(methylsulfonyl)-3-quinolinecarboxamide; asthma, COPD, allergic rhinitis, or rheumatoid arthritis in a human GLAXO GROUP LIMITED (GB) 2009-08-11 — — US disclosed
US-7566786-B2 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-07-28 — — US disclosed
US-7566786-B2 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-07-28 — — US disclosed
EP-1661877-B1 PROCESS FOR PRODUCING AROMATIC ALDEHYDE IHARA CHEMICAL IND CO (JP) 2009-05-13 — — EP disclosed
US-7262316-B2 Process for producing aromatic nitrile compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-08-28 — — US disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 — — US disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 — — US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 — — US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 — — US disclosed
US-20070004934-A1 Process for producing aromatic aldehyde IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-01-04 — — US disclosed
EP-1661877-A1 PROCESS FOR PRODUCING AROMATIC ALDEHYDE Ihara Chemical Industry Co., Ltd. (JP) 2006-05-31 — — EP disclosed
US-20060069282-A1 Process for producing aromatic nitrile compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2006-03-30 — — US disclosed
EP-1555257-A1 PROCESS FOR PRODUCING AROMATIC NITRILE COMPOUND IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2005-07-20 — — EP disclosed
WO-2004103998-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-02 — — 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 (5 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-20060069282-A1 Process for producing aromatic nitrile compound ODC1, ALKBH3, GNMT APP 2149/4885KDM1A 1092/4885MAOB 57/4885
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors PDE3B, PDE4B, PDE4A APP 3282/4885KDM1A 894/4885MAOB 87/4885
US-20070004934-A1 Process for producing aromatic aldehyde ALKBH3, AOX1, ALDH3A1 APP 2608/4885KDM1A 2123/4885MAOB 54/4885
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A APP 3282/4885KDM1A 894/4885MAOB 87/4885
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A APP 3282/4885KDM1A 894/4885MAOB 87/4885

“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.