SCHEMBL3267196

SCHEMBL3267196

Cc1ccc(CNc2ccc3cc(NCc4ccccc4)ccc3n2)o1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 1/20 0.46
MAPT P10636 4/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
MAOB P27338 1/20 0.43
PTPN1 P18031 1/20 0.42
PTPN11 Q06124 1/20 0.42
DHFR P00374 1/20 0.42
TSHR P16473 1/20 0.42
NPY5R Q15761 1/20 0.41
HTT P42858 2/20 0.40
MAP4K4 O95819 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL3267224 0.90 MAPT (0.40) TRPC5MAPTTP53SMN1; SMN2KDM4E
SCHEMBL3266446 0.89 TRPC5 (0.44) TRPC5MAPTTP53SMN1; SMN2KDM4E
SCHEMBL3267312 0.88 POLB (0.49) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL3267003 0.87 MAPT (0.47) MAPTTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL3267024 0.84 DHFR (0.50) TRPC5SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL3267291 0.83 MEN1 (0.43) MAPTTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL3273187 0.83 MEN1 (0.43) MAPTTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL3271133 0.80 KCNN3 (0.39) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL3266968 0.80 RAB9A (0.47) TRPC5SMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL3267054 0.80 MAPK14 (0.42) MAPTTP53SMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399674-B2 Quinolines HOFFMAN-LA ROCHE INC. (US) 2013-03-19 US claimed
US-20120136018-A1 QUINOLINES KOLCZEWSKI SABINE (DE) 2012-05-31 US claimed
EP-2195296-A1 QUINOLINE DERIVATIVES AS 5HT5A RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-06-16 EP claimed
US-20090088451-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US claimed
WO-2009040290-A1 QUINOLINE DERIVATIVES AS 5HT5A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 WO claimed
US-8399674-B2 Quinolines HOFFMAN-LA ROCHE INC. (US) 2013-03-19 US disclosed
US-20120136018-A1 QUINOLINES KOLCZEWSKI SABINE (DE) 2012-05-31 US disclosed
EP-2195296-A1 QUINOLINE DERIVATIVES AS 5HT5A RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-06-16 EP disclosed
US-20090088451-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US disclosed
WO-2009040290-A1 QUINOLINE DERIVATIVES AS 5HT5A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 WO 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-20090088451-A1 QUINOLINES HTR5A, HTR1A, HTR1E TRPC5 132/4885MAPT 1853/4885TP53 4670/4885
US-20120136018-A1 QUINOLINES HTR5A, HTR1A, HTR1E TRPC5 132/4885MAPT 1853/4885TP53 4670/4885

“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.