SCHEMBL703252

SCHEMBL703252

CC(C)(C)NC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
CYP1A2 P05177 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 5/20 0.44
LMNA P02545 4/20 0.44
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
DPP4 P27487 3/20 0.43
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
CCNK O75909 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
PANK3 Q9H999 1/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL596148 0.84 ALDH1A1 (0.52) GAACYP1A2SMN1; SMN2MAPTLMNA
SCHEMBL596149 0.84 ALDH1A1 (0.52) GAACYP1A2SMN1; SMN2MAPTLMNA
SCHEMBL596381 0.84 ALDH1A1 (0.52) GAACYP1A2SMN1; SMN2MAPTLMNA
SCHEMBL701125 0.83 CCNK (0.43) GAASMN1; SMN2LMNAKDM4ECCNK
SCHEMBL3265860 0.83 CCNK (0.43) GAASMN1; SMN2LMNAKDM4ECCNK
Hydrochloric Acid SCHEMBL2512657 0.82 CCNK (0.42) GAASMN1; SMN2LMNAKDM4ECCNK
SCHEMBL704373 0.81 NOS2 (0.54) SMN1; SMN2MAPTLMNAALDH1A1RAB9A
SCHEMBL704374 0.81 NOS2 (0.54) SMN1; SMN2MAPTLMNAALDH1A1RAB9A
SCHEMBL382373 0.80 ALDH1A1 (0.57) GAACYP1A2SMN1; SMN2MAPTLMNA
SCHEMBL3391062 0.79 CYP1A2 (0.50) GAACYP1A2SMN1; SMN2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124766-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
EP-2367817-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Via Pharmaceuticals, Inc. (US) 2011-09-28 EP disclosed
WO-2010065310-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-06-10 WO disclosed
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MADRIGAL PHARMACEUTICALS, INC. 2010-06-10 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 (1 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-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT GAA 191/4885CYP1A2 950/4885SMN1; SMN2 4259/4885

“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.