SCHEMBL3987533

SCHEMBL3987533

O=C1CCCc2c1ccc(O)c2Br

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
PRKCI P41743 1/20 0.44
HSD17B1 P14061 3/20 0.40
CYP2A6 P11509 1/20 0.37
BRD4 O60885 2/20 0.37
ACHE P22303 1/20 0.35
EP300 Q09472 1/20 0.35
BAZ2B Q9UIF8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
PSMB5 P28074 1/20 0.33

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
SCHEMBL31125679 0.89 KDM4E (0.41) MAOAMAOBPRKCIHSD17B1ACHE
SCHEMBL3989388 0.89 KDM4E (0.41) MAOAMAOBPRKCIHSD17B1ACHE
SCHEMBL9521410 0.81 ACHE (0.53) MAOAMAOBPRKCIHSD17B1CYP2A6
SCHEMBL8615195 0.81 MAOA (0.39) MAOAMAOBPRKCIHSD17B1CYP2A6
SCHEMBL23783031 0.78 MAOA (0.44) MAOAMAOBPRKCIHSD17B1CYP2A6
SCHEMBL13726726 0.78 MAOA (0.37) MAOAMAOBPRKCIHSD17B1CYP2A6
SCHEMBL31620328 0.78 MAOA (0.41) MAOAMAOBPRKCIHSD17B1CYP2A6
SCHEMBL24687751 0.78 MAOA (0.44) MAOAMAOBPRKCIHSD17B1CYP2A6
SCHEMBL31156850 0.78 MAOA (0.49) MAOAMAOBPRKCIHSD17B1CYP2A6
SCHEMBL30070449 0.78 MAOA (0.37) MAOAMAOBPRKCIHSD17B1CYP2A6

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
US-7485655-B2 2-Aminothiazole allosteric enhancers of A1 adenosine receptors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-02-03 US disclosed
EP-1583530-A4 2-AMINOTHIAZOLE ALLOSTERIC ENHANCERS OF A1-ADENOSINE RECEPTORS UNIV VIRGINIA (US) 2008-07-23 EP disclosed
EP-1583530-A1 2-AMINOTHIAZOLE ALLOSTERIC ENHANCERS OF A1-ADENOSINE RECEPTORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2005-10-12 EP disclosed
US-6943183-B2 5-substituted tetralones as inhibitors of ras farnesyl transferase PFIZER INC (US) 2005-09-13 US disclosed
US-20050027125-A1 2-Aminothiazole allosteric enhancers of a ?1? adenosine receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-02-03 US disclosed
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US disclosed
US-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase WARNER-LAMBERT COMPANY 2004-03-04 US disclosed
WO-2003061655-A1 2-AMINOTHIAZOLE ALLOSTERIC ENHANCERS OF A1 ADENOSINE RECEPTORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2003-07-31 WO disclosed
EP-1276725-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2003-01-22 EP disclosed
WO-2001079180-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2001-10-25 WO disclosed
EP-0764159-B1 C -4 AMIDE SUBSTITUTED COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 2000-08-09 EP disclosed
US-5843989-A C4 -amide substituted compounds and their use as therapeutic agents SMITHKLINE BEECHAM P.L.C. (GB) 1998-12-01 US disclosed
EP-0764159-A1 C -4 AMIDE SUBSTITUTED COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 1997-03-26 EP disclosed
WO-1995034547-A1 C-4 AMIDE SUBSTITUTED COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 1995-12-21 WO disclosed
US-4709095-A ANTIINFLAMMATORY AGENTS, ANALGESICS, DIURETICS AND HYPOTENSIVE AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1987-11-24 US disclosed
US-4618683-A Tetrahydro-6,7-dimethoxy-1H-benz[e]isoinodolines useful in the treatment of hypertension and as sedatives ABBOTT LABORATORIES (US) 1986-10-21 US disclosed
EP-0191108-A1 O-AMINOMETHYLPHENOL COMPOUNDS Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-08-20 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 (3 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-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase PTAR1, FNTA, GGPS1 MAOA 3197/4885MAOB 2947/4885PRKCI 1911/4885
US-20050027125-A1 2-Aminothiazole allosteric enhancers of a ?1? adenosine receptors ADORA1, ADORA2A, ADORA2B MAOA 1699/4885MAOB 2252/4885PRKCI 2838/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 MAOA 2249/4885MAOB 1745/4885PRKCI 201/4885

“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.