SCHEMBL3270944

SCHEMBL3270944

COc1ccc(OC(=O)Nc2ccc3nc(NCc4ccccc4OC)ccc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 2/20 0.45
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.44
CSNK1D P48730 1/20 0.44
TP53 P04637 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TSHR P16473 1/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL3267206 0.90 HIF1A (0.57) MAPTGAASMN1; SMN2HIF1APOLB
SCHEMBL3268659 0.89 NPC1 (0.57) MAPTALDH1A1SMN1; SMN2TP53MEN1
SCHEMBL3316178 0.83 MAPT (0.38) MAPTHIF1ALMNACSNK1DTP53
SCHEMBL3267065 0.82 MEN1 (0.53) MAPTALDH1A1GAAHTTSMN1; SMN2
SCHEMBL3402970 0.82 HIF1A (0.51) MAPTALDH1A1HIF1ALMNATP53
SCHEMBL3268616 0.77 PDGFRB (0.53) MAPTALDH1A1GAAHTTSMN1; SMN2
SCHEMBL3267055 0.77 LMNA (0.53) MAPTALDH1A1GAAHTTSMN1; SMN2
SCHEMBL3405744 0.77 MEN1 (0.50) MAPTALDH1A1GAAHTTSMN1; SMN2
SCHEMBL3267015 0.77 MEN1 (0.47) MAPTALDH1A1GAAHTTSMN1; SMN2
SCHEMBL3403276 0.76 CYP1A2 (0.47) MAPTALDH1A1HIF1APOLBLMNA

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 1853/4885ALDH1A1 961/4885GAA 4466/4885
US-20120136018-A1 QUINOLINES HTR5A, HTR1A, HTR1E MAPT 1853/4885ALDH1A1 961/4885GAA 4466/4885

“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.