SCHEMBL214965

SCHEMBL214965

N#Cc1ccc(OCc2ccccc2)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.58
MRGPRX4 Q96LA9 5/20 0.52
PTGER1 P34995 1/20 0.48
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
EGFR P00533 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
PPIA P62937 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL17554783 0.83 MAOB (0.50) MAOBMRGPRX4PTGER1PPIAKDM4E
SCHEMBL1330628 0.83 MAOB (0.62) MAOBMRGPRX4XDH
SCHEMBL6554874 0.82 MAOB (0.55) MAOBMRGPRX4PTGER1PTGDR2PPIA
SCHEMBL7129137 0.81 MAOB (0.58) MAOBMRGPRX4PTGER1GABRG2GABRB3
SCHEMBL1980141 0.81 MAOB (0.58) MAOBMRGPRX4PTGER1GABRG2GABRB3
SCHEMBL1060980 0.81 MAOB (0.58) MAOBMRGPRX4PTGER1GABRG2GABRB3
SCHEMBL1647357 0.81 FOLH1 (0.62) MAOBMRGPRX4PTGER1PTGDR2PPIA
SCHEMBL31562297 0.80 MAOB (0.50) MAOBMRGPRX4PTGER1PPIAXDH
SCHEMBL3490042 0.80 MAOB (0.57) MAOBMRGPRX4LMNACYP1A2KDM4E
SCHEMBL6766128 0.80 MAOB (0.57) MAOBMRGPRX4LMNACYP1A2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364091-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-11-16 US disclosed
US-11377451-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-07-05 US disclosed
US-20220064177-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-03-03 US disclosed
US-8227506-B2 Benzamidine compound AJINOMOTO., INC. (JP) 2012-07-24 US disclosed
US-8088768-B2 Protein kinase and phosphatase inhibitors THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2012-01-03 US disclosed
US-8088768-B2 Protein kinase and phosphatase inhibitors THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2012-01-03 US disclosed
US-8088768-B2 Protein kinase and phosphatase inhibitors THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2012-01-03 US disclosed
EP-1698635-B1 BENZIMIDAZOLE DERIVATIVES AND MEDICAL USES THEREOF KISSEI PHARMACEUTICAL (JP) 2011-12-14 EP disclosed
EP-1813623-B1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2011-11-09 EP disclosed
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
EP-0888271-A1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 1999-01-07 EP disclosed
US-5846972-A Bicyclic pyrimidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. (US) 1998-12-08 US disclosed
US-5846970-A Bicyclic pyrimidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. (US) 1998-12-08 US disclosed
US-5753635-A Purine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. (US) 1998-05-19 US disclosed
WO-1998015547-A1 THIO ACID DERIVED MONOCYCLIC N-HETEROCYCLICS AS ANTICOAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-04-16 WO disclosed
WO-1998011094-A1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY CYCLIC AMINO ACID OR CYCL IC HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-03-19 WO disclosed
WO-1998007723-A1 BICYCLIC PYRIMIDINE DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-02-26 WO disclosed
WO-1998007725-A1 PURINE DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-02-26 WO disclosed
US-5693641-A ENZYME INHIBITOR TREATING BLOOD DISORDER BERLEX LABORATORIES INC. (US) 1997-12-02 US disclosed
WO-1997029067-A1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (DE) 1997-08-14 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 (4 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-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND ERG28, CYP51A1, XPO1 MAOB 1175/4885MRGPRX4 240/4885PTGER1 3057/4885
US-11377451-B2 Compositions and methods for treating cancer TP53, EGFR, SLC2A1 MAOB 2480/4885MRGPRX4 4699/4885PTGER1 4487/4885
US-20230364091-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER TP53, EGFR, SLC2A1 MAOB 1955/4885MRGPRX4 4656/4885PTGER1 4490/4885
US-20220064177-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER TP53, SLC2A1, EGFR MAOB 2047/4885MRGPRX4 4685/4885PTGER1 4485/4885

“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.