SCHEMBL3266936

SCHEMBL3266936

CC1(C)Cc2cccc(Nc3ccc4cc(Br)ccc4n3)c2O1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
LMNA P02545 3/20 0.36
PKM P14618 2/20 0.35
ALDH1A1 P00352 4/20 0.35
BACE1 P56817 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
KMT2A Q03164 2/20 0.32
TSHR P16473 1/20 0.32
HBB P68871 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
EGFR P00533 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3271298 0.82 KDM1A (0.38) MAPTLMNAPKMALDH1A1NPSR1
SCHEMBL4115657 0.79 MAPT (0.38) MAPTLMNAPKMNPSR1KMT2A
SCHEMBL29074152 0.71 BACE1 (0.57) MAPTALDH1A1BACE1KMT2AKDM4E
SCHEMBL2905055 0.70 ALDH1A1 (0.36) MAPTLMNAPKMALDH1A1KMT2A
SCHEMBL2906857 0.69 ALDH1A1 (0.38) MAPTLMNAPKMALDH1A1KMT2A
SCHEMBL3331291 0.68 LMNA (0.52) MAPTLMNAPKMALDH1A1NPSR1
SCHEMBL2908896 0.68 LMNA (0.41) MAPTLMNAALDH1A1KMT2ATSHR
SCHEMBL11041344 0.67 LMNA (0.48) MAPTLMNAPKMALDH1A1NPSR1
SCHEMBL2908657 0.67 MAPK10 (0.39) MAPTLMNAPKMALDH1A1NPSR1
SCHEMBL2909137 0.67 KDM4E (0.38) LMNAPKMKMT2AKDM4E

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 MAPT 1853/4885LMNA 3216/4885PKM 3435/4885
US-20120136018-A1 QUINOLINES HTR5A, HTR1A, HTR1E MAPT 1853/4885LMNA 3216/4885PKM 3435/4885

“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.