SCHEMBL76691

SCHEMBL76691

CC(C)(C)OC(=O)Nc1ccc([N+](=O)[O-])c(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.46
CYP3A4 P08684 2/20 0.45
AR P10275 2/20 0.45
PGR P06401 1/20 0.45
MEN1 O00255 3/20 0.44
RAB9A P51151 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 4/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43

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
SCHEMBL38654784 0.89 MAPT (0.55) PRMT1CYP3A4MEN1RAB9AKMT2A
SCHEMBL79068 0.89 MAPT (0.55) PRMT1CYP3A4MEN1RAB9AKMT2A
SCHEMBL27515540 0.86 ALDH1A1 (0.51) MEN1RAB9AKMT2ANPC1ALDH1A1
SCHEMBL20045617 0.85 RAB9A (0.60) PRMT1CYP3A4ARPGRMEN1
SCHEMBL7070721 0.84 AR (0.48) PRMT1CYP3A4ARPGRMEN1
SCHEMBL16043830 0.84 CYP19A1 (0.46) PRMT1CYP3A4ARPGRMEN1
SCHEMBL30896778 0.84 AR (0.48) PRMT1CYP3A4ARPGRMEN1
SCHEMBL12207047 0.84 AR (0.48) PRMT1CYP3A4ARPGRMEN1
SCHEMBL12207039 0.83 HTT (0.52) PRMT1CYP3A4ARPGRMEN1
SCHEMBL7448057 0.82 ALDH1A1 (0.48) PRMT1CYP3A4ARPGRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012045194-A1 BENZODIAZEPINONES AS FAK INHIBITORS FOR TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2012-04-12 WO disclosed
US-8129396-B2 2-[1H-benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2012-03-06 US disclosed
CN-102159568-A 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK INC 2011-08-17 CN disclosed
US-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. 2010-04-01 US disclosed
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
US-6605626-B2 Benzamide inhibitors of factor Xa ELI LILLY AND COMPANY 2003-08-12 US disclosed
US-20020120007-A1 Benzamide inhibitors of factor Xa BEIGHT DOUGLAS WADE (US) 2002-08-29 US disclosed
US-6313122-B1 AS INHIBITORS OF FACTOR XA AND ARE USED AS ANTICOAGULANTS IN MAMMALS ELI LILLY AND COMPANY 2001-11-06 US disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 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-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors MAP3K2, MAP4K2, MAP3K12 PRMT1 1721/4885CYP3A4 4232/4885AR 822/4885
US-20020120007-A1 Benzamide inhibitors of factor Xa TFPI, F11, F12 PRMT1 3204/4885CYP3A4 580/4885AR 2436/4885

“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.