SCHEMBL2296702

SCHEMBL2296702

CCOC(=O)c1nc(-c2ccc([N+](=O)[O-])cc2)no1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.62
RAB9A P51151 4/20 0.54
GAA P10253 1/20 0.54
AR P10275 4/20 0.52
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 2/20 0.50
NPC1 O15118 1/20 0.49
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
PRKCZ Q05513 1/20 0.47
GSTP1 P09211 2/20 0.47
HDAC1 Q13547 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL3233714 0.84 HTT (0.71) HTTRAB9AGAAMAPTL3MBTL1
SCHEMBL28816280 0.82 HTT (0.68) HTTRAB9AMAPTL3MBTL1LMNA
SCHEMBL3335119 0.82 HTT (0.72) HTTRAB9AGAAMAPTL3MBTL1
SCHEMBL3230760 0.82 HTT (0.68) HTTRAB9AMAPTLMNANPC1
SCHEMBL8593668 0.82 HTT (0.68) HTTGAAMAPTLMNANPC1
SCHEMBL28816317 0.82 HTT (0.68) HTTRAB9AGAAMAPTL3MBTL1
SCHEMBL2554648 0.81 HTT (0.67) HTTRAB9AGAAMAPTLMNA
SCHEMBL4528391 0.80 HTT (0.66) HTTRAB9AMAPTLMNANPC1
SCHEMBL14408440 0.80 SIRT2 (0.54) HTTRAB9AGAAARMAPT
SCHEMBL8825229 0.79 CA1 (0.66) RAB9AGAAARMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835428-B2 Diacylglycerol acyltransferase inhibitors Piramal Enterprises Limited (IN) 2014-09-16 US disclosed
US-20110196002-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED. 2011-08-11 US disclosed
WO-2010023609-A1 OXAZOLE, OXADIAZOLE AND THIAZOLE DERIVATIVES AS DIACYLGLYCEROL ACYLTRANFERASE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-03-04 WO disclosed
US-5622976-A NERVOUS SYSTEM DISORDERS; ALZHEIMER*S DISEASE; CEREBROVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed
EP-0619814-A1 OXADIAZOLE DERIVATIVES HAVING ACETYLCHOLINESTERASE-INHIBITORY AND MUSCARINIC AGONIST ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
WO-1993013083-A1 OXADIAZOLE DERIVATIVES HAVING ACETYLCHOLINESTERASE-INHIBITORY AND MUSCARINIC AGONIST ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-08 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 (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-20110196002-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, DLAT HTT 1746/4885RAB9A 3753/4885GAA 317/4885

“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.