SCHEMBL2935815

SCHEMBL2935815

CCc1cc(CO)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.55
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
PRKCI P41743 2/20 0.40
MAOA P21397 1/20 0.39
DYRK1A Q13627 1/20 0.39
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
SREBF1 P36956 1/20 0.37
SREBF2 Q12772 1/20 0.37
PLAU P00749 1/20 0.37
MAP4K4 O95819 1/20 0.36
TYMS P04818 1/20 0.35

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
SCHEMBL13541414 0.84 RECQL (0.61) RECQLNOS3NOS1NOS2PRKCI
SCHEMBL218290 0.84 NOS3 (0.61) CYP1A2POLBNOS3NOS1NOS2
SCHEMBL3638740 0.83 KDM4E (0.56) RECQLCYP1A2POLBNOS3NOS1
SCHEMBL5115940 0.83 NOS3 (0.55) RECQLCYP1A2POLBNOS3NOS1
SCHEMBL11563922 0.82 NOS3 (0.59) CYP1A2POLBNOS3NOS1NOS2
Dimethylamine SCHEMBL7744073 0.78 NOS3 (0.55) CYP1A2POLBNOS3NOS1NOS2
SCHEMBL2642380 0.78 RECQL (0.55) RECQLNOS3NOS1NOS2PRKCI
SCHEMBL21393240 0.78 RECQL (0.55) RECQLCYP1A2POLBNOS3NOS1
SCHEMBL16775566 0.78 CYP1A2 (0.47) RECQLCYP1A2POLBNOS3NOS1
SCHEMBL1654460 0.78 LOXL2 (0.55) CYP1A2POLBNOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547519-B2 Monitoring mycobacterium oxidation of organosulfur compounds, obtaining bacterial nucleotide sequences, detecting mutation in preferential gene, monitoring reduction in oxidation of organosulfur compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-06-16 US claimed
EP-1453837-A4 TARGETED THERAPEUTICS AND USES THEREOF ACTIVBIOTICS INC (US) 2007-11-07 EP claimed
US-7122525-B2 Targeted therapeutics and uses thereof ACTIVBIOTICS, INC. (US) 2006-10-17 US claimed
US-20050142602-A1 Methods of diagnosing multidrug resistant tuberculosis THE GOVT. U.S.A , AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-06-30 US claimed
EP-1453837-A2 TARGETED THERAPEUTICS AND USES THEREOF Activbiotics, Inc. (US) 2004-09-08 EP claimed
US-20040063718-A1 Targeted therapeutics and uses thereof ACTIVBIOTICS PHARMA LLC 2004-04-01 US claimed
WO-2003045319-A2 TARGETED THERAPEUTICS AND USES THEREOF ACTIVBIOTICS, INC. (US) 2003-06-05 WO claimed
US-20030013090-A1 Methods of diagnosing multidrug resistant tuberculosis HEALTH AND HUMAN SERVICES, GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE, DEPARTMENT OF THE, THE 2003-01-16 US claimed
US-20170281641-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS GENZYME CORPORATION 2017-10-05 US disclosed
EP-3188729-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS Genzyme Corporation (US) 2017-07-12 EP disclosed
EP-2651899-B1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2017-05-31 EP disclosed
EP-3002278-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-04-19 EP disclosed
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 US disclosed
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 US disclosed
EP-1453837-A2 TARGETED THERAPEUTICS AND USES THEREOF Activbiotics, Inc. (US) 2004-09-08 EP disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO disclosed
US-20040063718-A1 Targeted therapeutics and uses thereof ACTIVBIOTICS PHARMA LLC 2004-04-01 US disclosed
WO-2003045319-A2 TARGETED THERAPEUTICS AND USES THEREOF ACTIVBIOTICS, INC. (US) 2003-06-05 WO disclosed
US-20030013090-A1 Methods of diagnosing multidrug resistant tuberculosis HEALTH AND HUMAN SERVICES, GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE, DEPARTMENT OF THE, THE 2003-01-16 US disclosed
WO-1999020617-A1 ANTIINFLAMMATORY THIADIAZOLYL UREAS WHICH ACT AS LFA-1 AND MAC-1 INHIBITORS ACTIVE BIOTECH AB (SE) 1999-04-29 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 (2 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-20170281641-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS NGF, NTRK1, TK1 RECQL 3135/4885CYP1A2 4827/4885POLB 2624/4885
US-20040063718-A1 Targeted therapeutics and uses thereof CD47, RIF1, NUP205 RECQL 1244/4885CYP1A2 3572/4885POLB 3642/4885

“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.