SCHEMBL1090741

SCHEMBL1090741

C=Cc1cc2c(cc1[N+](=O)[O-])C(=O)CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.36
PTGS2 P35354 2/20 0.36
BAZ1A Q9NRL2 1/20 0.35
HSD17B10 Q99714 4/20 0.34
PBRM1 Q86U86 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
MAPT P10636 7/20 0.33
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
CYP3A4 P08684 3/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
STAT6 P42226 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL1994756 0.76 MAPT (0.45) BAZ1AHSD17B10PBRM1CASP1CASP7
SCHEMBL7894568 0.76 ATM (0.42) BAZ1AHSD17B10PBRM1CASP1CASP7
SCHEMBL11980460 0.76 BAZ1A (0.37) ACHEBAZ1AHSD17B10PBRM1CASP1
SCHEMBL6204798 0.76 MAPK1 (0.42) BAZ1AHSD17B10PBRM1CASP1CASP7
SCHEMBL1090688 0.76 ALDH1A1 (0.51) BAZ1AHSD17B10PBRM1CASP1CASP7
SCHEMBL1025369 0.76 ALDH1A1 (0.40) BAZ1AHSD17B10PBRM1CASP1CASP7
SCHEMBL23782694 0.73 PBRM1 (0.38) PTGS2HSD17B10PBRM1CASP1CASP7
Ethylene SCHEMBL7162329 0.73 TYMS (0.51) BAZ1AHSD17B10PBRM1CASP1CASP7
SCHEMBL7162505 0.72 TYMS (0.53) BAZ1AHSD17B10PBRM1CASP1CASP7
SCHEMBL34474585 0.72 ACHE (0.39) ACHEPTGS2HSD17B10MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153671-B2 Heterotetracyclic compounds as TPO mimetics IRM LLC (BM) 2012-04-10 US disclosed
US-8153671-B2 Heterotetracyclic compounds as TPO mimetics IRM LLC (BM) 2012-04-10 US disclosed
US-8153671-B2 Heterotetracyclic compounds as TPO mimetics IRM LLC (BM) 2012-04-10 US disclosed
EP-1910338-B1 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM LLC (BM) 2010-08-25 EP disclosed
EP-1910338-B1 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM LLC (BM) 2010-08-25 EP disclosed
US-20090075996-A1 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM LLC (BM) 2009-03-19 US disclosed
US-20090075996-A1 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM LLC (BM) 2009-03-19 US disclosed
US-20090075996-A1 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM LLC (BM) 2009-03-19 US disclosed
CN-101213190-A Compounds and compositions useful as TPO mimetics IRM LLC (BM) 2008-07-02 CN disclosed
EP-1910338-A2 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM, LLC (BM) 2008-04-16 EP disclosed
WO-2007009120-A2 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM LLC (BM) 2007-01-18 WO disclosed
WO-2007009120-A2 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM LLC (BM) 2007-01-18 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-20090075996-A1 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS MPL, TPO, THPO ACHE 4805/4885PTGS2 505/4885BAZ1A 1885/4885

“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.