Sugi Predict

Sugi Predict / Compounds / SCHEMBL3034286

SCHEMBL3034286

SCHEMBL3034286

FCCCCc1cc[c]cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.38
▸ HRH1 P35367 2/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ S1PR1 P21453 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ MAOB P27338 2/20 0.32
▸ SIGMAR1 Q99720 3/20 0.31
▸ PTPN2 P17706 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ PTPN6 P29350 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ ESR1 P03372 2/20 0.30
▸ ADRA2A P08913 2/20 0.30
▸ ADORA3 P0DMS8 2/20 0.30
▸ TACR2 P21452 2/20 0.30
▸ SLC6A2 P23975 2/20 0.30
▸ SLC6A4 P31645 2/20 0.30
▸ SLC6A3 Q01959 2/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL4629583 0.98 HRH1 (0.38) MAOAHRH1HTR2AS1PR1S1PR3
SCHEMBL7510277 0.98 HRH1 (0.38) MAOAHRH1HTR2AS1PR1S1PR3
SCHEMBL2138046 0.98 HRH1 (0.38) MAOAHRH1HTR2AS1PR1S1PR3
SCHEMBL1031911 0.93 MAOA (0.34) MAOAHRH1HTR2ASIGMAR1
SCHEMBL11803736 0.87 MAOA (0.40) MAOAHRH1HTR2AMAOBSIGMAR1
SCHEMBL11690401 0.85 SIGMAR1 (0.41) MAOAHRH1HTR2AMAOBSIGMAR1
SCHEMBL989591 0.82 — —
SCHEMBL3581333 0.81 MAOA (0.60) MAOAHRH1HTR2AMAOBSIGMAR1
SCHEMBL3593094 0.79 MAOA (0.58) MAOAHRH1HTR2ASIGMAR1
SCHEMBL27478848 0.79 MAOA (0.58) MAOAHRH1HTR2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 — — EP disclosed
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 — — US disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 — — EP disclosed
US-20130053607-A1 METHOD FOR PRODUCING A RADIOACTIVE TRACER POLYINTELL (FR) 2013-02-28 — — US disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 — — US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 — — US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 — — US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 — — US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 — — EP disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 — — US disclosed
EP-1209166-B1 NOVEL A-500359 DERIVATIVES SANKYO CO (JP) 2004-03-31 — — EP disclosed
EP-1390362-A1 SUBSTITUTED BENZOFURANS AND BENZOTHIOPHENES, METHODS OF MAKING AND METHODS OF USE AS INTEGRIN ANTAGONISTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-02-25 — — EP disclosed
US-20030171330-A1 Antibacterial compound SANKYO COMPANY, LIMITED (JP) 2003-09-11 — — US disclosed
US-20030018064-A1 Substituted benzofurans and benzothiophenes, methods of making and methods of use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-01-23 — — US disclosed
WO-2002088118-A1 SUBSTITUTED BENZOFURANS AND BENZOTHIOPHENES, METHODS OF MAKING AND METHODS OF USE AS INTEGRIN ANTAGONISTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-11-07 — — WO disclosed
EP-1209166-A1 NOVEL A-500359 DERIVATIVES Sankyo Company, Limited (JP) 2002-05-29 — — EP disclosed
US-5965613-A FUNGICIDES FOR USE IN AGRICULTURE AND HORTICULTURE; THE COMPOUNDS ALSO HAVE INSECTICIDAL AND ACARICIDAL ACTIVITY NOVARTIS FINANCE CORPORATION (US) 1999-10-12 — — US disclosed
EP-0273444-B1 USE OF CARBOXAMIDE COMPOUNDS FOR THE PREPARATION OF A MEDICAMENT FOR TREATING HYPERLIPIDEMIA OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1993-05-05 — — EP disclosed
US-5081112-A Administering an aryl phosphonate carboxamide OTSUKA PHARMACEUTICAL FACTORY INC. (JP) 1992-01-14 — — US disclosed
EP-0273444-A2 Use of carboxamide compounds for the preparation of a medicament for treating hyperlipidemia OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1988-07-06 — — EP 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-20030018064-A1 Substituted benzofurans and benzothiophenes, methods of making and methods of use as integrin antagonists VCAM1, ITGB1, ITGB7 MAOA 4210/4885HRH1 696/4885HTR2A 3743/4885
US-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 MAOA 624/4885HRH1 57/4885HTR2A 1799/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 MAOA 3569/4885HRH1 2338/4885HTR2A 3506/4885
US-20030171330-A1 Antibacterial compound TLR1, MPO, O60361 MAOA 1163/4885HRH1 20/4885HTR2A 4154/4885
US-20130053607-A1 METHOD FOR PRODUCING A RADIOACTIVE TRACER PFAS, METTL3, FLI1 MAOA 2064/4885HRH1 4717/4885HTR2A 4330/4885

“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.