SCHEMBL3266901

SCHEMBL3266901

Cc1ccc(CNc2ccc3cc(CCc4ccccn4)ccc3n2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TP53 P04637 1/20 0.48
TRPC5 Q9UL62 1/20 0.39
APP P05067 4/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.36
NPY5R Q15761 1/20 0.36
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36

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
SCHEMBL2902477 0.80 KDM4E (0.47) HTTKDM4EHPGDSMN1; SMN2NPC1
SCHEMBL3266446 0.80 TRPC5 (0.44) HTTKDM4EHPGDSMN1; SMN2NPC1
SCHEMBL3272964 0.78 NPC1 (0.40) HTTKDM4EHPGDSMN1; SMN2NPC1
SCHEMBL3272962 0.78 NPC1 (0.40) HTTKDM4EHPGDSMN1; SMN2NPC1
SCHEMBL3266968 0.76 RAB9A (0.47) HPGDSMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL3267196 0.75 TRPC5 (0.46) HTTKDM4EHPGDSMN1; SMN2NPC1
SCHEMBL3267063 0.75 NPC1 (0.43) HTTSMN1; SMN2NPC1RAB9ATRPC5
SCHEMBL2906853 0.75 KDM4E (0.54) HTTKDM4EHPGDSMN1; SMN2NPC1
SCHEMBL3267224 0.72 MAPT (0.40) HTTKDM4EHPGDSMN1; SMN2NPC1
SCHEMBL28784482 0.72 NPC1 (0.41) HTTKDM4EHPGDSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HTT 603/4885KDM4E 1014/4885HPGD 1763/4885
US-20120136018-A1 QUINOLINES HTR5A, HTR1A, HTR1E HTT 603/4885KDM4E 1014/4885HPGD 1763/4885

“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.