SCHEMBL1663602

SCHEMBL1663602

[c]1cccc2nc3ccccc3[c]c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.34
GLA P06280 4/20 0.34
KDM4E B2RXH2 4/20 0.34
HPGD P15428 3/20 0.34
NQO2 P16083 3/20 0.34
MAOA P21397 2/20 0.34
ACHE P22303 2/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CHRM2 P08172 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL23981 0.78 MAPT (0.56) MAPTALDH1A1GLAKDM4EHPGD
SCHEMBL17044598 0.72
SCHEMBL25265 0.69 ALDH1A1 (0.56) MAPTALDH1A1GLAKDM4EHPGD
SCHEMBL512508 0.69 ALDH1A1 (0.30) MAPTALDH1A1GLAHPGDACHE
SCHEMBL4875167 0.66 MAPT (0.46) MAPTALDH1A1GLAKDM4EHPGD
SCHEMBL25712 0.66 MAPT (0.52) MAPTALDH1A1GLAKDM4EHPGD
SCHEMBL8884724 0.65 KDM4E (0.41) MAPTALDH1A1GLAKDM4EHPGD
SCHEMBL17044576 0.65
SCHEMBL60224 0.64 CYP2A6 (0.38) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
Phenazine SCHEMBL11666372 0.64 MAPT (0.79) MAPTALDH1A1GLAKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884802-B2 6-heteroarylphenanthridines ALTANA PHARMA AG (DE) 2005-04-26 US claimed
EP-1958940-B1 CONDENSATION REACTION BY METAL CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2013-06-26 EP disclosed
US-20110098479-A1 CONDENSATION REACTION BY METAL CATALYST MASHIMA KAZUSHI 2011-04-28 US disclosed
US-7888513-B2 Condensation reaction by metal catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-02-15 US disclosed
US-20090198070-A1 Condensation Reaction by Metal Catalyst OSAKA UNIVERSITY (JP) 2009-08-06 US disclosed
EP-1958940-A1 CONDENSATION REACTION BY METAL CATALYST Takasago International Corporation (JP) 2008-08-20 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-20110098479-A1 CONDENSATION REACTION BY METAL CATALYST C9, CBR3, C1R MAPT 4285/4885ALDH1A1 2265/4885GLA 3000/4885
US-20090198070-A1 Condensation Reaction by Metal Catalyst C9, CBR3, C1R MAPT 4285/4885ALDH1A1 2265/4885GLA 3000/4885

“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.