SCHEMBL4343473

SCHEMBL4343473

Nc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.55
CCR5 P51681 3/20 0.55
CCR8 P51685 3/20 0.55
KDM4E B2RXH2 7/20 0.53
LMNA P02545 5/20 0.53
L3MBTL1 Q9Y468 5/20 0.53
TP53 P04637 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
TDP1 Q9NUW8 3/20 0.53
ALOX15 P16050 3/20 0.53
HTT P42858 2/20 0.53
ALPL P05186 1/20 0.53
HSP90AA1 P07900 1/20 0.53
ALPI P09923 1/20 0.53
ALPG P10696 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
METAP1 P53582 1/20 0.50
BLM P54132 1/20 0.50

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
SCHEMBL30732403 1.00 CCR1 (0.55) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL25085704 0.94 CCR1 (0.49) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL22043245 0.92 CCR1 (0.47) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL2007559 0.91 CCR1 (0.64) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL13311187 0.91 CCR1 (0.64) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL29660049 0.91 CCR1 (0.64) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL18489879 0.89 CCR1 (0.62) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL2542485 0.87 CCR1 (0.60) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL923281 0.87 KDM4E (0.56) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL4951059 0.87 KDM4E (0.70) CCR1CCR5CCR8KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278939-A1 Photochemical Separations and Compositions The Florida State University Research Foundation, Inc. 2023-09-07 US disclosed
US-20230278939-A1 Photochemical Separations and Compositions The Florida State University Research Foundation, Inc. 2023-09-07 US disclosed
US-11591277-B2 Photochemical separations and compositions The Florida State University Research Foundation, Inc. (US) 2023-02-28 US disclosed
EP-2924020-B1 FLUORANTHENE COMPOUND, AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME LG CHEMICAL LTD (KR) 2019-01-16 EP disclosed
US-8343450-B2 Functionalized carbon nanotubes, recovery of radionuclides and separation of actinides and lanthanides CHEMNANO MATERIALS, LTD. (US) 2013-01-01 US disclosed
US-8329011-B2 Polymerase-immobilized electrode CANON KABUSHIKI KAISHA (JP) 2012-12-11 US disclosed
US-8329011-B2 Polymerase-immobilized electrode CANON KABUSHIKI KAISHA (JP) 2012-12-11 US disclosed
US-8241709-B2 Method for producing electrode having immobilized π-conjugated ligands, electrode having immobilized π-conjugated metal complexes, and electrode having immobilized π-conjugated multinuclear metal complexes CANON KABUSHIKI KAISHA (JP) 2012-08-14 US disclosed
US-8241709-B2 Method for producing electrode having immobilized π-conjugated ligands, electrode having immobilized π-conjugated metal complexes, and electrode having immobilized π-conjugated multinuclear metal complexes CANON KABUSHIKI KAISHA (JP) 2012-08-14 US disclosed
US-8241709-B2 Method for producing electrode having immobilized π-conjugated ligands, electrode having immobilized π-conjugated metal complexes, and electrode having immobilized π-conjugated multinuclear metal complexes CANON KABUSHIKI KAISHA (JP) 2012-08-14 US disclosed
US-20110006272-A1 Electrochromic films prepared by supramolecular self-assembly BASF SE (DE) 2011-01-13 US disclosed
US-20110006272-A1 Electrochromic films prepared by supramolecular self-assembly BASF SE (DE) 2011-01-13 US disclosed
WO-2010069797-A1 ELECTROCHROMIC FILMS PREPARED BY SUPRAMOLECULAR SELF-ASSEMBLY BASF SE (DE) 2010-06-24 WO disclosed
US-20090159449-A1 METHOD FOR PRODUCING ELECTRODE HAVING IMMOBILIZED pi-CONJUGATED LIGANDS, ELECTRODE HAVING IMMOBILIZED pi-CONJUGATED METAL COMPLEXES, AND ELECTRODE HAVING IMMOBILIZED pi-CONJUGATED MULTINUCLEAR METAL COMPLEXES CANON KABUSHIKI KAISHA (JP) 2009-06-25 US disclosed
US-20090159449-A1 METHOD FOR PRODUCING ELECTRODE HAVING IMMOBILIZED pi-CONJUGATED LIGANDS, ELECTRODE HAVING IMMOBILIZED pi-CONJUGATED METAL COMPLEXES, AND ELECTRODE HAVING IMMOBILIZED pi-CONJUGATED MULTINUCLEAR METAL COMPLEXES CANON KABUSHIKI KAISHA (JP) 2009-06-25 US disclosed
US-20090159449-A1 METHOD FOR PRODUCING ELECTRODE HAVING IMMOBILIZED pi-CONJUGATED LIGANDS, ELECTRODE HAVING IMMOBILIZED pi-CONJUGATED METAL COMPLEXES, AND ELECTRODE HAVING IMMOBILIZED pi-CONJUGATED MULTINUCLEAR METAL COMPLEXES CANON KABUSHIKI KAISHA (JP) 2009-06-25 US disclosed
US-20090134042-A1 POLYMERASE-IMMOBILIZED ELECTRODE CANON KABUSHIKI KAISHA (JP) 2009-05-28 US disclosed
US-20090134042-A1 POLYMERASE-IMMOBILIZED ELECTRODE CANON KABUSHIKI KAISHA (JP) 2009-05-28 US disclosed
US-20090093664-A1 Carbon nanotubes using for recovery of radionuclides and separation of actinides and lanthanides CHEMNANO MATERIALS, LTD. (US) 2009-04-09 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 (3 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-20230278939-A1 Photochemical Separations and Compositions APEX1, CYBA, MT-CO2 CCR1 3867/4885CCR5 4301/4885CCR8 4134/4885
US-11591277-B2 Photochemical separations and compositions APEX1, CYBA, MT-CO2 CCR1 3867/4885CCR5 4301/4885CCR8 4134/4885
US-20090093664-A1 Carbon nanotubes using for recovery of radionuclides and separation of actinides and lanthanides CLSPN, NCL, NCDN CCR1 544/4885CCR5 2009/4885CCR8 516/4885

“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.