SCHEMBL1956520

SCHEMBL1956520

Cc1ccc(-n2sccc2=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 10/20 0.65
EP300 Q09472 5/20 0.64
IDO1 P14902 1/20 0.57
PIN1 Q13526 1/20 0.50
RGS4 P49798 3/20 0.47
RGS8 P57771 3/20 0.47
F2 P00734 1/20 0.45
ELANE P08246 1/20 0.45
CTSG P08311 1/20 0.45
CMA1 P23946 1/20 0.45
CTRC Q99895 1/20 0.45
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
PMM2 O15305 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
G6PD P11413 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL7624622 0.79 KAT2B (0.64) KAT2BEP300IDO1PIN1PMM2
SCHEMBL2136307 0.79 IDO1 (0.60) KAT2BEP300IDO1PIN1KDM4E
SCHEMBL9320095 0.73 IDO1 (1.00) KAT2BEP300IDO1NPC1ALDH1A1
SCHEMBL1899386 0.73 IDO1 (0.71) KAT2BEP300IDO1ALDH1A1MAPT
SCHEMBL81082 0.73 KAT2B (0.59) KAT2BEP300IDO1PIN1ALDH1A1
SCHEMBL9130886 0.71 KAT2B (0.73) KAT2BEP300IDO1PIN1RGS4
SCHEMBL4700504 0.67 KAT2B (1.00) KAT2BEP300IDO1PIN1PMM2
SCHEMBL9322109 0.67 ALDH1A1 (0.68) KAT2BRGS4RGS8ALDH1A1TP53
SCHEMBL12632651 0.67 KAT2B (0.61) KAT2BRGS4RGS8F2ELANE
SCHEMBL9412478 0.65 F2 (0.48) KAT2BRGS4RGS8F2ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5465527-A Landscaping border ABLE CORPORATION (US) 1995-11-14 US claimed
US-8518957-B2 Methanocarba adenosine derivatives, pharmaceutical compositions, and method of reducing intraocular pressure THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-08-27 US disclosed
US-20120264769-A1 METHANOCARBA ADENOSINE DERIVATIVES AND DENDRIMER CONJUGATES THEREOF The United States of Americia, as represented by the Secretary, Department of Health and Human Serv (US) 2012-10-18 US disclosed
EP-2507241-A1 METHANOCARBA ADENOSINE DERIVATIVES AND DENDRIMER CONJUGATES THEREOF The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2012-10-10 EP disclosed
WO-2011068978-A1 METHANOCARBA ADENOSINE DERIVATIVES AND DENDRIMER CONJUGATES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-06-09 WO disclosed
US-5465527-A Landscaping border ABLE CORPORATION (US) 1995-11-14 US disclosed
EP-0147970-B1 MICROBIOCIDAL OR ANTIMICROBIAL BIOMEDICAL DEVICES ROHM AND HAAS COMPANY (US) 1989-03-01 EP disclosed
US-4542169-A Biomedical devices containing isothiazolones to control bacteria growth ROHM AND HAAS COMPANY (US) 1985-09-17 US disclosed
EP-0147970-A1 Microbiocidal or antimicrobial biomedical devices ROHM AND HAAS COMPANY (US) 1985-07-10 EP disclosed
US-4396413-A BACTERICIDES, FUNGICIDES, ALGICIDES ROHM AND HAAS COMPANY (US) 1983-08-02 US disclosed
US-4325201-A BACTERICIDES, FUNGICIDES, PESTICIDES, AND SLIMICIDES; PAINTS; PRESERVATIVES ROHM AND HAAS COMPANY (US) 1982-04-20 US disclosed
US-4322475-A BACTERICIDES, FUNGICIDES, ALGICIDES ROHM AND HAAS COMPANY (US) 1982-03-30 US disclosed
US-4279762-A Cutting oils containing 3-isothiazolones as biocides ROHM AND HAAS COMPANY (US) 1981-07-21 US disclosed
US-4265899-A FUNGICIDES, BACTERICIDES ROHM AND HAAS COMPANY (US) 1981-05-05 US disclosed
US-4252694-A MICROBIOCIDES ROHM AND HAAS COMPANY (US) 1981-02-24 US disclosed
US-4243403-A BACTERICIDES, ACRYLIC POLYMERS, FUNGICIDES ROHM AND HAAS COMPANY (US) 1981-01-06 US disclosed
US-4241214-A BACTERICIDE, FUNGICIDE AND ALGAECIDE ROHM AND HAAS COMPANY (US) 1980-12-23 US disclosed
US-4150026-A BACTERICIDES, FUNGICIDES, ALGICIDES ROHM AND HAAS COMPANY (US) 1979-04-17 US disclosed
US-4105431-A BACTERICIDES, FUNGICIDES, ALGICIDES ROHM AND HAAS COMPANY (US) 1978-08-08 US disclosed
US-4062946-A 3-ISOTHIAZOLONES ROHM AND HAAS COMPANY (US) 1977-12-13 US 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 (1 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-20120264769-A1 METHANOCARBA ADENOSINE DERIVATIVES AND DENDRIMER CONJUGATES THEREOF ADORA3, ADORA2A, ADORA1 KAT2B 4655/4885EP300 4729/4885IDO1 3423/4885

“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.