SCHEMBL2136307

SCHEMBL2136307

CCc1ccc(-n2sccc2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.60
KAT2B Q92831 9/20 0.59
EP300 Q09472 5/20 0.58
MGLL Q99685 2/20 0.47
PIN1 Q13526 1/20 0.46
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP2C19 P33261 1/20 0.40
G6PD P11413 2/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL1956520 0.79 KAT2B (0.65) IDO1KAT2BEP300MGLLPIN1
SCHEMBL9320095 0.76 IDO1 (1.00) IDO1KAT2BEP300ALDH1A1HPGD
SCHEMBL7624622 0.75 KAT2B (0.64) IDO1KAT2BEP300MGLLPIN1
SCHEMBL9132689 0.74 ALDH1A1 (0.68) IDO1KAT2BMGLLALDH1A1HPGD
SCHEMBL22657 0.74 KAT2B (1.00) IDO1KAT2BEP300PIN1ALDH1A1
SCHEMBL1899386 0.73 IDO1 (0.71) IDO1KAT2BEP300ALDH1A1HPGD
SCHEMBL81082 0.69 KAT2B (0.59) IDO1KAT2BEP300PIN1ALDH1A1
SCHEMBL9130886 0.67 KAT2B (0.73) IDO1KAT2BEP300PIN1MAPT
SCHEMBL112959 0.64 MGLL (1.00) MGLLALDH1A1HPGDTDP1HSP90AA1
SCHEMBL14490265 0.64 MGLL (0.48) MGLLALDH1A1HPGDKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090027774-A1 COMPOSITION FOR ANISOTROPIC DYESTUFF FILM, ANISOTROPIC DYESTUFF FILM AND POLARIZING ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2009-01-29 US claimed
EP-1860469-A1 COMPOSITION FOR ANISOTROPIC DYESTUFF FILM, ANISOTROPIC DYESTUFF FILM AND POLARIZING ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2007-11-28 EP claimed
US-9011988-B2 Liquid-crystal compound, liquid-crystal composition, light absorption anisotropic film, and liquid-crystal display device FUJIFILM CORPORATION (JP) 2015-04-21 US disclosed
US-8927070-B2 Dichroic dye composition, light absorption anisotropic film, and polarizing element FUJIFILM CORPORATION (JP) 2015-01-06 US disclosed
US-8623476-B2 Polarizing element and method of producing the same FUJIFILM CORPORATION (JP) 2014-01-07 US disclosed
US-8541935-B2 Color filter and light-emitting display element UDC IRELAND LIMITED (IE) 2013-09-24 US disclosed
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-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-20130187090-A1 LIQUID-CRYSTAL COMPOUND, LIQUID-CRYSTAL COMPOSITION, LIGHT ABSORPTION ANISOTROPIC FILM, AND LIQUID-CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2013-07-25 US disclosed
EP-2554536-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTALLINE COMPOSITION, ANISOTROPICALLY LIGHT-ABSORBING FILM, AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM Corporation (JP) 2013-02-06 EP 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
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
US-20120099054-A1 COLOR FILTER AND LIGHT-EMITTING DISPLAY ELEMENT UDC IRELAND LIMITED (IE) 2012-04-26 US disclosed
US-20110177315-A1 DICHROIC DYE COMPOSITION, LIGHT ABSORPTION ANISOTROPIC FILM, AND POLARIZING ELEMENT FUJIFILM CORPORATION (JP) 2011-07-21 US disclosed
US-20100134726-A1 POLARIZING ELEMENT AND METHOD OF PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2010-06-03 US disclosed
US-20090274853-A1 DICHROIC DYE COMPOSITION FUJIFILM CORPORATION (JP) 2009-11-05 US disclosed
US-20090027774-A1 COMPOSITION FOR ANISOTROPIC DYESTUFF FILM, ANISOTROPIC DYESTUFF FILM AND POLARIZING ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2009-01-29 US disclosed
EP-1860469-A1 COMPOSITION FOR ANISOTROPIC DYESTUFF FILM, ANISOTROPIC DYESTUFF FILM AND POLARIZING ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2007-11-28 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 (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-20090274853-A1 DICHROIC DYE COMPOSITION C1S, CDY1; CDY1B, CRY1 IDO1 256/4885KAT2B 1623/4885EP300 1091/4885
US-20120264769-A1 METHANOCARBA ADENOSINE DERIVATIVES AND DENDRIMER CONJUGATES THEREOF ADORA3, ADORA2A, ADORA1 IDO1 3423/4885KAT2B 4655/4885EP300 4729/4885

“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.