SCHEMBL514975

SCHEMBL514975

CCCCCNc1nc(NCCCCC)nc(NCCCCC)n1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 2/20 0.63
KMT2A Q03164 1/20 0.63
DNM2 P50570 7/20 0.53
SLC29A1 Q99808 1/20 0.50
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44

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
SCHEMBL14441519 0.97 KMT2A (0.67) KCNH3KMT2ADNM2SLC29A1CA1
SCHEMBL3298608 0.97 KMT2A (0.67) KCNH3KMT2ADNM2SLC29A1CA1
SCHEMBL403583 0.97 KMT2A (0.67) KCNH3KMT2ADNM2SLC29A1CA1
SCHEMBL8054465 0.97 KMT2A (0.67) KCNH3KMT2ADNM2SLC29A1CA1
SCHEMBL1032562 0.97 KMT2A (0.67) KCNH3KMT2ADNM2SLC29A1CA1
SCHEMBL14441528 0.97 KMT2A (0.67) KCNH3KMT2ADNM2SLC29A1CA1
SCHEMBL3298621 0.97 KMT2A (0.67) KCNH3KMT2ADNM2SLC29A1CA1
SCHEMBL3299537 0.97 KMT2A (0.67) KCNH3KMT2ADNM2SLC29A1CA1
SCHEMBL7774845 0.95 KMT2A (0.65) KCNH3KMT2ADNM2SLC29A1CA1
SCHEMBL7776218 0.95 KMT2A (0.65) KCNH3KMT2ADNM2SLC29A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070189991-A1 Cosmetic compositon comprising a (Thio)urethane/ (thio)urea copolymer capable of forming at least 3 hydrogen bonds, and a method of cosmetic treatment L'OREAL S.A. (FR) 2007-08-16 US claimed
CN-112888562-A Novel coated articles, method for their preparation and use 苏尔飞克特德国有限公司 2021-06-01 CN disclosed
US-9561390-B2 Cosmetic composition comprising a supramolecular polymer and method for making up the skin and/or lips employing a composition comprising a supramolecular polymer L'OREAL (FR) 2017-02-07 US disclosed
US-9068093-B2 Surface modification of carbon black EASTMAN KODAK COMPANY (US) 2015-06-30 US disclosed
US-20140000478-A1 SURFACE MODIFICATION OF CARBON BLACK BANK OF AMERICA, N.A., AS AGENT 2014-01-02 US disclosed
US-8591923-B2 Cosmetic compositon comprising a (thio)urethane/(thio)urea copolymer capable of forming at least 3 hydrogen bonds, and a method of cosmetic treatment L'OREAL (FR) 2013-11-26 US disclosed
US-20130237703-A1 Visible Light-Absorbing Complex, Triazine-Based Dendritic Polymer, and Organic Photovoltaic Device NATIONAL CHI NAN UNIVERSITY (TW) 2013-09-12 US disclosed
US-20120027698-A9 COSMETIC AND/OR PHARMACEUTICAL COMPOSITION COMPRISING AT LEAST ONE COPOLYMER COMPRISING AT LEAST ONE IONIZABLE GROUP, AND COSMETIC TREATMENT PROCESS L'OREAL S.A. 2012-02-02 US disclosed
US-7951207-B2 Composition for dyeing keratin fibers, comprising at least one polyalkene-based supramolecular polymer, at least one pigment and at least one volatile solvent L'OREAL S.A. (FR) 2011-05-31 US disclosed
US-20110094531-A1 COMPOSITION FOR TREATING KERATIN FIBERS, COMPRISING AT LEAST ONE POLYALKENE-BASED SUPRAMOLEDCULAR POLYMER, AT LEAST ONE BLOCK POLYMER, AND AT LEAST ONE VOLATILE SOLVENT L'OREAL S.A. (FR) 2011-04-28 US disclosed
US-20090143262-A1 Lubricant Composition FUJIFILM CORPORATION (JP) 2009-06-04 US disclosed
EP-2028254-A2 Grease composition, viscous agent, and mechanical element FUJIFILM Corporation (JP) 2009-02-25 EP disclosed
US-20080194441-A1 GREASE COMPOSITION, VISCOUS AGENT, AND MECHANICAL ELEMENT FUJIFILM CORPORATION (JP) 2008-08-14 US disclosed
EP-1876220-A1 LUBRICANT COMPOSITION FUJIFILM Corporation (JP) 2008-01-09 EP disclosed
US-20070264208-A1 Cosmetic and/or pharmaceutical composition comprising at least one copolymer comprising at least one ionizable group, and cosmetic treatment process L'OREAL S.A. (FR) 2007-11-15 US disclosed
US-20070189991-A1 Cosmetic compositon comprising a (Thio)urethane/ (thio)urea copolymer capable of forming at least 3 hydrogen bonds, and a method of cosmetic treatment L'OREAL S.A. (FR) 2007-08-16 US disclosed
EP-1054049-B1 Optical compensators CHISSO CORP (JP) 2003-04-02 EP disclosed
US-6437123-B1 NEMATIC DISCOTIC LIQUID CRYSTAL PHASE, A COLUMNAR LIQUID CRYSTAL PHASE AND/OR A COLUMNAR CRYSTALLINE PHASE; ELECTRON-DEFICIENT CENTRAL UNIT THAT FAVOURS TRANSPORT OF ELECTRONS, ELECTROLUMINESCENT SHARP KABUSHIKI KAISHA (JP) 2002-08-20 US disclosed
EP-1054049-A1 Optical compensators CHISSO CORPORATION (JP) 2000-11-22 EP disclosed
US-3943107-A Processable high temperature polymers prepared from amine terminated polymers and cyanamides of polyfunctional secondary amines CIBA-GEIGY CORPORATION (US) 1976-03-09 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 (5 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-20140000478-A1 SURFACE MODIFICATION OF CARBON BLACK IK, TYR, CD99 KCNH3 2877/4885KMT2A 684/4885DNM2 3882/4885
US-20070189991-A1 Cosmetic compositon comprising a (Thio)urethane/ (thio)urea copolymer capable of forming at least 3 hydrogen bonds, and a method of cosmetic treatment KRT18, TST, CTH KCNH3 2953/4885KMT2A 3276/4885DNM2 4599/4885
US-20070264208-A1 Cosmetic and/or pharmaceutical composition comprising at least one copolymer comprising at least one ionizable group, and cosmetic treatment process KRT18, DSG1, DSC1 KCNH3 548/4885KMT2A 2513/4885DNM2 2766/4885
US-20120027698-A9 COSMETIC AND/OR PHARMACEUTICAL COMPOSITION COMPRISING AT LEAST ONE COPOLYMER COMPRISING AT LEAST ONE IONIZABLE GROUP, AND COSMETIC TREATMENT PROCESS KRT18, DSG1, DSC1 KCNH3 574/4885KMT2A 2705/4885DNM2 2700/4885
US-20110094531-A1 COMPOSITION FOR TREATING KERATIN FIBERS, COMPRISING AT LEAST ONE POLYALKENE-BASED SUPRAMOLEDCULAR POLYMER, AT LEAST ONE BLOCK POLYMER, AND AT LEAST ONE VOLATILE SOLVENT KRT18, EPCAM, NUP205 KCNH3 715/4885KMT2A 4150/4885DNM2 2739/4885

“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.