SCHEMBL6981667

SCHEMBL6981667

COC(=O)C(C)(C)c1ccc(OC)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 10/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CYP3A4 P08684 2/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
GAA P10253 1/20 0.48
MEN1 O00255 5/20 0.48
MAPT P10636 4/20 0.48
POLB P06746 2/20 0.47
LMNA P02545 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL15456899 0.89 CHEK1 (0.49) KMT2ATDP1ALDH1A1NPSR1CYP3A4
SCHEMBL7254888 0.87 CHEK1 (0.53) KMT2ATDP1ALDH1A1NPSR1CYP3A4
SCHEMBL14684915 0.87 CNR2 (0.45) KMT2ATDP1ALDH1A1NPSR1CYP3A4
SCHEMBL31480810 0.87 ALDH1A1 (0.49) KMT2ATDP1ALDH1A1NPSR1CYP3A4
SCHEMBL732303 0.83 THRB (0.49) KMT2AALDH1A1NPSR1HPGDGAA
SCHEMBL20302045 0.83 NPSR1 (0.47) KMT2AALDH1A1NPSR1HPGDGAA
SCHEMBL4857830 0.83 ALDH1A1 (0.49) KMT2ATDP1ALDH1A1NPSR1CYP3A4
SCHEMBL31480818 0.82 ALDH1A1 (0.46) KMT2ATDP1ALDH1A1NPSR1CYP3A4
SCHEMBL8626579 0.82 ALDH1A1 (0.53) KMT2ATDP1ALDH1A1NPSR1CYP3A4
SCHEMBL6688277 0.81 CTSV (0.54) KMT2AALDH1A1NPSR1HPGDMEN1

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-20140315881-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2014-10-23 US disclosed
EP-2736330-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2014-06-04 EP disclosed
WO-2013019682-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-02-07 WO disclosed
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-04-24 US disclosed
EP-1292585-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 EP disclosed
WO-2001098282-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 2001-12-27 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-20140315881-A1 COMPOUNDS AND METHODS RORC, RORB, RORA KMT2A 1686/4885TDP1 4487/4885ALDH1A1 820/4885
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors SQLE, CYP17A1, ACOX1 KMT2A 2350/4885TDP1 3755/4885ALDH1A1 1026/4885

“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.