SCHEMBL594608

SCHEMBL594608

CN(C(=O)[C@H]1CCC[C@@H]1C(=O)O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 2/20 0.40
POLB P06746 1/20 0.40
FASN P49327 3/20 0.39
ATM Q13315 2/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
TLR9 Q9NR96 1/20 0.38
SLC6A3 Q01959 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
PHLPP2 Q6ZVD8 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL594610 1.00 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL594609 1.00 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL3630547 0.84 FASN (0.52) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL596034 0.81 FASN (0.42) FASN
SCHEMBL596035 0.81 FASN (0.42) FASN
SCHEMBL596036 0.81 FASN (0.42) FASN
SCHEMBL4886823 0.79 DGAT1 (0.56) L3MBTL1MAPK1POLBTDP1
SCHEMBL1018016 0.78 NAMPT (0.50) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL595212 0.75 RAB9A (0.67) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL595214 0.75 RAB9A (0.67) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153644-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8115011-B2 (S)-3-{5-[(1-Pyridin-2-yl-3-trifluoromethyl-1H-pyrazole-4-carbonyl)-amino]-pyridin-2-ylamino}-pyrrolidine-1-carboxylic acid ethyl ester; obesity, type II diabetes mellitus and metabolic syndrome MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-8058299-B2 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 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 (4 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-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ALDH1A1 573/4885SMN1; SMN2 4066/4885L3MBTL1 2602/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ALDH1A1 573/4885SMN1; SMN2 4066/4885L3MBTL1 2602/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ALDH1A1 573/4885SMN1; SMN2 4066/4885L3MBTL1 2602/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ALDH1A1 573/4885SMN1; SMN2 4066/4885L3MBTL1 2602/4885

“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.