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

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.

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