Sugi Predict

Sugi Predict / Compounds / SCHEMBL2989798

SCHEMBL2989798

SCHEMBL2989798

O=C(OCc1ccccc1)c1ccc(OCc2ccccc2)cc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.57
▸ MAOA P21397 1/20 0.54
▸ PARP15 Q460N3 1/20 0.54
▸ PARP10 Q53GL7 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ TDP1 Q9NUW8 3/20 0.51
▸ NOX1 Q9Y5S8 1/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ CTSV O60911 1/20 0.50
▸ CTSL P07711 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ MRGPRX4 Q96LA9 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ NR4A2 P43354 2/20 0.49
▸ NR4A1 P22736 1/20 0.49
▸ NR4A3 Q92570 1/20 0.49

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
SCHEMBL13267972 0.88 L3MBTL1 (0.64) MAOBMAOAALDH1A1TDP1KMT2A
SCHEMBL2997270 0.88 MAOB (0.62) MAOBMAOAPARP15PARP10ALDH1A1
SCHEMBL17700198 0.87 ALDH1A1 (0.51) ALDH1A1TDP1KMT2AMEN1CYP3A4
SCHEMBL176858 0.87 MAOB (0.59) MAOBMAOAPARP15PARP10ALDH1A1
SCHEMBL7373666 0.87 ALDH1A1 (0.61) MAOBPARP10ALDH1A1TDP1KMT2A
SCHEMBL27683488 0.87 MAOB (0.61) MAOBMAOAPARP15PARP10NOX1
Hydrochloric Acid SCHEMBL9015457 0.87 MAOB (0.61) MAOBMAOAPARP15PARP10ALDH1A1
SCHEMBL5195459 0.86 MAOB (0.49) MAOBMAOAPARP15PARP10ALDH1A1
SCHEMBL31336015 0.85 MAOB (0.58) MAOBALDH1A1TDP1KMT2AMEN1
SCHEMBL4200621 0.85 MAOB (0.71) MAOBMAOAALDH1A1TDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2546232-A1 Diphenyl Substituted Alkanes Merck Sharp & Dohme Corp. (US) 2013-01-16 — — EP disclosed
CN-102491969-A Heteroaromatic quinoline compounds PFIZER PROD INC 2012-06-13 — — CN disclosed
US-7825254-B2 Heteroaromatic quinoline compounds PFIZER INC. (US) 2010-11-02 — — US disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 — — US disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 — — US disclosed
EP-1841757-B1 HETEROAROMATIC QUINOLINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PFIZER PROD INC (US) 2010-06-30 — — EP disclosed
US-20090264402-A1 NOVEL DIPHENYLAZETIDINONE SUBSTITUTED BY PIPERAZINE-1-SULFONIC ACID AND HAVING IMPROVED PHARMACOLOGICAL PROPERTIES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-10-22 — — US disclosed
US-20090264402-A1 NOVEL DIPHENYLAZETIDINONE SUBSTITUTED BY PIPERAZINE-1-SULFONIC ACID AND HAVING IMPROVED PHARMACOLOGICAL PROPERTIES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-10-22 — — US disclosed
EP-1979343-A2 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS Pfizer Products Inc. (US) 2008-10-15 — — EP disclosed
US-7429665-B2 Heteroaromatic quinoline compounds PFIZER INC (US) 2008-09-30 — — US disclosed
US-20080214607-A1 HETEROAROMATIC QUINOLINE COMPOUNDS PFIZER INC 2008-09-04 — — US disclosed
CN-101098866-A Heteroaromatic quinoline compounds and their use as pde10 inhibitors PFIZER (US) 2008-01-02 — — CN disclosed
EP-1841757-A2 HETEROAROMATIC QUINOLINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS Pfizer Products Incorporated (US) 2007-10-10 — — EP disclosed
WO-2007077490-A2 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER PRODUCTS INC. (US) 2007-07-12 — — WO disclosed
US-20070155779-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER INC 2007-07-05 — — US disclosed
US-20060154931-A1 Heteroaromatic quinoline compounds PFIZER INC 2006-07-13 — — US disclosed
WO-2006072828-A2 HETEROAROMATIC QUINOLINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PFIZER PRODUCTS INC. (US) 2006-07-13 — — 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-20060154931-A1 Heteroaromatic quinoline compounds PDE12, PDE7A, PDE4A MAOB 30/4885MAOA 25/4885PARP15 1016/4885
US-20070155779-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PDE12, PDE10A, PDE7A MAOB 32/4885MAOA 30/4885PARP15 583/4885
US-20080214607-A1 HETEROAROMATIC QUINOLINE COMPOUNDS PDE12, PDE7A, PDE4A MAOB 30/4885MAOA 25/4885PARP15 1016/4885
US-20090264402-A1 NOVEL DIPHENYLAZETIDINONE SUBSTITUTED BY PIPERAZINE-1-SULFONIC ACID AND HAVING IMPROVED PHARMACOLOGICAL PROPERTIES DPP7, SCN5A, DCTN1 MAOB 3397/4885MAOA 3546/4885PARP15 2071/4885
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B MAOB 1032/4885MAOA 527/4885PARP15 451/4885

“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.