Bathocuproine

Bathocuproine

SCHEMBL4393344

Cc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C)nc3c2n1.O=S(=O)(O)OS(=O)(=O)O

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.39
ALDH1A1 P00352 9/20 0.38
KDM4E B2RXH2 7/20 0.38
KCNA3 P22001 1/20 0.38
MAPT P10636 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MAPK1 P28482 2/20 0.38
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 1/20 0.38
IKBKB O14920 1/20 0.37
GAA P10253 5/20 0.36
LMNA P02545 2/20 0.36
HSP90AA1 P07900 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
KLK7 P49862 1/20 0.36
RORC P51449 1/20 0.35
CA12 O43570 1/20 0.35

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
Bathocuproine SCHEMBL28459914 0.85 CRHR1 (0.46) CRHR1ALDH1A1KDM4EMAPTL3MBTL1
Bathocuproine SCHEMBL36914 0.84 CRHR1 (0.48) CRHR1ALDH1A1KDM4EMAPTL3MBTL1
Bathocuproine SCHEMBL29351092 0.84 CRHR1 (0.48) CRHR1ALDH1A1KDM4EMAPTL3MBTL1
Bathocuproine SCHEMBL20526077 0.84 CRHR1 (0.48) CRHR1ALDH1A1KDM4EMAPTL3MBTL1
Bathocuproine SCHEMBL29356702 0.84 CRHR1 (0.48) CRHR1ALDH1A1KDM4EMAPTL3MBTL1
Bathocuproine SCHEMBL8203658 0.83 CRHR1 (0.47) CRHR1ALDH1A1KDM4EMAPTL3MBTL1
Bathocuproine SCHEMBL5398100 0.83 CRHR1 (0.47) CRHR1ALDH1A1KDM4EMAPTL3MBTL1
Bathocuproine SCHEMBL38659029 0.83 CRHR1 (0.47) CRHR1ALDH1A1KDM4EMAPTL3MBTL1
Bathocuproine SCHEMBL29080447 0.83 CRHR1 (0.47) CRHR1ALDH1A1KDM4EMAPTL3MBTL1
Bathocuproine SCHEMBL28523242 0.83 CRHR1 (0.47) CRHR1ALDH1A1KDM4EMAPTL3MBTL1

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-8324196-B2 Polyquinoline derivatives and the therapeutic use thereof PALUMED S.A. (FR) 2012-12-04 US disclosed
US-20120277265-A1 NOVEL POLYQUINOLINE DERIVATIVES AND THE THERAPEUTIC USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2012-11-01 US disclosed
US-8247396-B2 Polyquinoline derivatives and therapeutic use thereof PALUMED S.A. (FR) 2012-08-21 US disclosed
US-20090227626-A1 NOVEL POLYQUINOLINE DERIVATIVES AND THERAPEUTIC USE THEREOF PALUMED S.A. (FR) 2009-09-10 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 (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-20120277265-A1 NOVEL POLYQUINOLINE DERIVATIVES AND THE THERAPEUTIC USE THEREOF HTT, APP, PSEN1 CRHR1 4587/4885ALDH1A1 3831/4885KDM4E 4293/4885
US-20090227626-A1 NOVEL POLYQUINOLINE DERIVATIVES AND THERAPEUTIC USE THEREOF HTT, UBQLN2, UBQLN1 CRHR1 4306/4885ALDH1A1 1999/4885KDM4E 3878/4885

“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.