SCHEMBL12450076

SCHEMBL12450076

CC(C)(C)CN1CCN(CC(=O)OC(C)(C)C)Cc2cccc(n2)-c2ccc3ccc4ccc(nc4c3n2)-c2cccc(n2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
SCN9A Q15858 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
DRD2 P14416 3/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
TERT O14746 1/20 0.31

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
SCHEMBL15493550 0.83 KMT2A (0.33) KMT2AP2RY12
SCHEMBL12629144 0.78 KMT2A (0.47) KMT2ASCN9ASCN10AWNT1GSK3B
SCHEMBL12522433 0.78 HRH1 (0.33) SCN9A
SCHEMBL12629018 0.74 KMT2A (0.44) KMT2ASCN9ASCN10AKDM4EALDH1A1
SCHEMBL21427218 0.74 KMT2A (0.41) KMT2ASCN9ASCN10AKDM4EALDH1A1
SCHEMBL21766563 0.72 DRD2 (0.44) KMT2AALDH1A1DRD2
SCHEMBL9269191 0.72 KMT2A (0.39) KMT2ASCN9ASCN10AWNT1GSK3B
SCHEMBL12450078 0.71 HRH1 (0.32) SCN9A
SCHEMBL12342818 0.68 ALDH1A1 (0.49) KMT2AKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL12693934 0.68 KMT2A (0.40) KMT2ASCN9ASCN10AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187690-B2 Rare earth metal complex having phenanthroline compound as ligand B.R.A.H.M.S. GMBH (DE) 2015-11-17 US disclosed
US-20140058073-A1 RARE EARTH METAL COMPLEX HAVING PHENANTHROLINE COMPOUND AS LIGAND B.R.A.H.M.S. GMBH (DE) 2014-02-27 US disclosed
US-8648194-B2 Compounds having phenanthroline structure B.R.A.H.M.S GMBH (DE) 2014-02-11 US disclosed
US-20120238748-A1 NOVEL COMPOUNDS HAVING PHENANTHROLINE STRUCTURE B.R.A.H.M.S GMBH (DE) 2012-09-20 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-20120238748-A1 NOVEL COMPOUNDS HAVING PHENANTHROLINE STRUCTURE PAH, BPTF, HDAC1 KMT2A 506/4885SCN9A 2701/4885SCN10A 2700/4885

“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.