SCHEMBL7863468

SCHEMBL7863468

CCOC(=O)c1cccc2nc(C)c([N+](=O)[O-])n12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
MAPK1 P28482 1/20 0.45
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
GAA P10253 2/20 0.42
CYP1A2 P05177 1/20 0.42
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 3/20 0.38
PDE4A P27815 1/20 0.38
RAB9A P51151 1/20 0.38
GLO1 Q04760 1/20 0.38
CACNA1F O60840 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37

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
SCHEMBL7863436 0.79 MAPK1 (0.49) MAPK1GAACYP1A2KMT2APDE4A
SCHEMBL7863426 0.78 PTGS1 (0.46) PTGS1PTGS2MAPK1PDE4BPDE4D
SCHEMBL7870327 0.74 MAPK1 (0.50) PTGS1PTGS2MAPK1GAACYP1A2
SCHEMBL7875517 0.71 GAA (0.43) MAPK1GAACYP1A2HTTMAPT
SCHEMBL8587743 0.70 GAA (0.48) MAPK1GAACYP1A2MAPTPDE4A
SCHEMBL7863347 0.70 GAA (0.58) PTGS1PTGS2MAPK1GAACYP1A2
SCHEMBL31040146 0.70 PTGS1 (1.00) PTGS1PTGS2MAPK1GAACYP1A2
SCHEMBL11877443 0.69 MAPK1 (0.60) MAPK1GAACYP1A2KMT2AMAPT
SCHEMBL7863456 0.69 MAPK1 (0.59) MAPK1GAACYP1A2HTTKMT2A
Hydrochloric Acid SCHEMBL7868681 0.69 MAPK1 (0.59) MAPK1GAACYP1A2KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010051631-A1 Tricyclic compounds, their production and use TAKATANI MUNEO (JP) 2001-12-13 US disclosed
US-6251905-B1 Tricyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-26 US disclosed
US-5958942-A HAVING EXCELLENT PDGF-INHIBITING ACTIVITIES, ANTIHYPERTENSIVE ACTIVITIES, ACTIVITIES OF AMELIORATING RENAL DISEASES AND ACTIVITIES OF LOWERING LIPID LEVEL. TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-28 US disclosed
EP-0771319-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-05-07 EP disclosed
WO-1996002542-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-01 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-20010051631-A1 Tricyclic compounds, their production and use PDGFA, HGF, REN PTGS1 104/4885PTGS2 365/4885MAPK1 418/4885

“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.