SCHEMBL14916767

SCHEMBL14916767

COC(=O)CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.68
ALDH1A1 P00352 4/20 0.68
GAA P10253 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
MAPT P10636 6/20 0.65
TP53 P04637 3/20 0.65
LMNA P02545 3/20 0.65
THRB P10828 1/20 0.65
POLB P06746 2/20 0.63
MEN1 O00255 1/20 0.63
MAPK1 P28482 1/20 0.63
KMT2A Q03164 1/20 0.63
KDM4E B2RXH2 1/20 0.60

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
SCHEMBL11682047 0.89 MAPT (0.67) SMN1; SMN2ALDH1A1GAACYP1A2CYP3A4
SCHEMBL24095580 0.87 SMN1; SMN2 (0.75) SMN1; SMN2ALDH1A1GAACYP1A2CYP3A4
SCHEMBL13263480 0.87 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1GAACYP1A2CYP3A4
SCHEMBL14917180 0.86 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1GAACYP1A2CYP3A4
SCHEMBL11659841 0.84 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1GAACYP1A2CYP3A4
SCHEMBL30661080 0.84 ALDH1A1 (0.71) SMN1; SMN2ALDH1A1GAACYP1A2CYP3A4
SCHEMBL16922182 0.84 ALDH1A1 (0.71) SMN1; SMN2ALDH1A1GAACYP1A2CYP3A4
SCHEMBL5418944 0.84 ALDH1A1 (0.71) SMN1; SMN2ALDH1A1GAACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL11847876 0.83 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1GAACYP1A2CYP3A4
SCHEMBL1794335 0.83 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1GAACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809599-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2017-11-07 US disclosed
US-9809599-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2017-11-07 US disclosed
US-9809599-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2017-11-07 US disclosed
EP-2773619-B1 NEW ARYL-QUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-11-16 EP disclosed
EP-2773619-B1 NEW ARYL-QUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-11-16 EP disclosed
US-20160060270-A1 New Aryl-Quinoline Derivatives HOFFMANN-LA ROCHE INC. 2016-03-03 US disclosed
US-20160060270-A1 New Aryl-Quinoline Derivatives HOFFMANN-LA ROCHE INC. 2016-03-03 US disclosed
US-20160060270-A1 New Aryl-Quinoline Derivatives HOFFMANN-LA ROCHE INC. 2016-03-03 US disclosed
US-9199938-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2015-12-01 US disclosed
US-9199938-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2015-12-01 US disclosed
US-9199938-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2015-12-01 US disclosed
EP-2773619-A1 NEW ARYL-QUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-09-10 EP disclosed
WO-2013064465-A1 NEW ARYL-QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-05-10 WO disclosed
WO-2013064465-A1 NEW ARYL-QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-05-10 WO disclosed
US-20130116234-A1 ARYL-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-09 US disclosed
US-20130116234-A1 ARYL-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-09 US disclosed
US-20130116234-A1 ARYL-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-09 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-20130116234-A1 ARYL-QUINOLINE DERIVATIVES FABP1, FABP4, FABP5 SMN1; SMN2 4858/4885ALDH1A1 928/4885GAA 3268/4885
US-20160060270-A1 New Aryl-Quinoline Derivatives FABP1, FABP4, FABP5 SMN1; SMN2 4846/4885ALDH1A1 851/4885GAA 3278/4885

“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.