SCHEMBL13819620

SCHEMBL13819620

COC(=O)C1=C(C)NC(C)=C(COC=O)C1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.72
CYP1A2 P05177 7/20 0.72
CACNA1C Q13936 6/20 0.72
CYP3A4 P08684 6/20 0.72
MAPT P10636 6/20 0.72
CYP2C9 P11712 6/20 0.72
CYP2C19 P33261 6/20 0.72
TSHR P16473 4/20 0.72
NFKB1 P19838 4/20 0.72
KMT2A Q03164 4/20 0.72
HIF1A Q16665 4/20 0.72
LMNA P02545 3/20 0.72
CYP2D6 P10635 3/20 0.72
ABCC4 O15439 2/20 0.72
CACNA1F O60840 2/20 0.72
ABCB11 O95342 2/20 0.72
ADORA2A P29274 2/20 0.72
ADORA1 P30542 2/20 0.72
OPRM1 P35372 2/20 0.72
SCN1A P35498 2/20 0.72

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
SCHEMBL12314043 0.88 ADORA3 (0.75) ADORA3CYP1A2CACNA1CCYP3A4MAPT
SCHEMBL6859870 0.88 CACNA1D (0.71) ADORA3CYP1A2CACNA1CCYP3A4MAPT
SCHEMBL18062192 0.85 CACNA1D (0.51) ADORA3CYP1A2CACNA1CCYP3A4MAPT
Nifedipine SCHEMBL1172946 0.84 ADORA3 (1.00) ADORA3CYP1A2CACNA1CCYP3A4MAPT
Nifedipine SCHEMBL29349595 0.84 ADORA3 (1.00) ADORA3CYP1A2CACNA1CCYP3A4MAPT
Nifedipine SCHEMBL3968 0.84 ADORA3 (1.00) ADORA3CYP1A2CACNA1CCYP3A4MAPT
Nifedipine SCHEMBL3858071 0.83 ADORA3 (0.97) ADORA3CYP1A2CACNA1CCYP3A4MAPT
Nifedipine SCHEMBL8851402 0.83 ADORA3 (0.97) ADORA3CYP1A2CACNA1CCYP3A4MAPT
Nifedipine SCHEMBL8851397 0.83 ADORA3 (0.97) ADORA3CYP1A2CACNA1CCYP3A4MAPT
Nifedipine SCHEMBL5694031 0.83 ADORA3 (0.97) ADORA3CYP1A2CACNA1CCYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9709710-B2 Device including light blocking layer and method of patterning the light blocking layer SAMSUNG SDI CO., LTD. (KR) 2017-07-18 US disclosed
US-20160259095-A1 Device Including Light Blocking Layer and Method of Patterning the Light Blocking Layer SAMSUNG SDI CO., LTD. (KR) 2016-09-08 US disclosed
US-20150024054-A1 SOLID PHARMACEUTICAL DISPERSIONS WITH ENHANCED BIOAVAILABILITY BEND RESEARCH, INC. (US) 2015-01-22 US disclosed
US-20130224301-A1 SOLID PHARMACEUTICAL DISPERSIONS WITH ENHANCED BIOAVAILABILITY BEND RESEARCH, INC. (US) 2013-08-29 US disclosed
US-8431159-B2 Solid pharmaceutical dispersions with enhanced bioavailability BEND RESEARCH, INC. (US) 2013-04-30 US disclosed
US-8367118-B2 Solid pharmaceutical dispersions with enhanced bioavailability BEND RESEARCH, INC. (US) 2013-02-05 US disclosed
US-20120328679-A1 SOLID PHARMACEUTICAL DISPERSIONS WITH ENHANCED BIOAVAILABILITY BEND RESEARCH, INC. 2012-12-27 US disclosed
US-8337899-B2 Solid pharmaceutical dispersions with enhanced bioavailability BEND RESEARCH, INC. (US) 2012-12-25 US disclosed
US-20120292797-A1 SOLID PHARMACEUTICAL DISPERSIONS WITH ENHANCED BIOAVAILABILITY BEND RESEARCH, INC. 2012-11-22 US disclosed
US-20120289571-A1 POLYMERIC CONJUGATES OF AROMATIC AMINE CONTAINING COMPOUNDS INCLUDING RELEASABLE UREA LINKER ENZON PHARMACEUTICALS, INC. (US) 2012-11-15 US disclosed
US-20120288542-A1 SOLID PHARMACEUTICAL DISPERSIONS WITH ENHANCED BIOAVAILABILITY BEND RESEARCH, INC. 2012-11-15 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 (5 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-20120328679-A1 SOLID PHARMACEUTICAL DISPERSIONS WITH ENHANCED BIOAVAILABILITY SUCNR1, SUCLA2, SI ADORA3 2796/4885CYP1A2 145/4885CACNA1C 1806/4885
US-20120288542-A1 SOLID PHARMACEUTICAL DISPERSIONS WITH ENHANCED BIOAVAILABILITY SBDS, SUCNR1, SI ADORA3 2103/4885CYP1A2 162/4885CACNA1C 1719/4885
US-20130224301-A1 SOLID PHARMACEUTICAL DISPERSIONS WITH ENHANCED BIOAVAILABILITY SUCNR1, SUCLA2, SI ADORA3 2796/4885CYP1A2 145/4885CACNA1C 1806/4885
US-20150024054-A1 SOLID PHARMACEUTICAL DISPERSIONS WITH ENHANCED BIOAVAILABILITY SUCNR1, SUCLA2, SI ADORA3 2796/4885CYP1A2 145/4885CACNA1C 1806/4885
US-20120289571-A1 POLYMERIC CONJUGATES OF AROMATIC AMINE CONTAINING COMPOUNDS INCLUDING RELEASABLE UREA LINKER AURKA, DSTYK, TYR ADORA3 853/4885CYP1A2 3424/4885CACNA1C 4867/4885

“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.