SCHEMBL7863426

SCHEMBL7863426

CCOC(=O)c1cccc2ncc([N+](=O)[O-])n12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 2/20 0.40
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
CYP2C9 P11712 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 5/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
TGFBR1 P36897 1/20 0.39
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL8587743 0.81 GAA (0.48) ALDH1A1CYP1A2CYP2C9GLAGAA
SCHEMBL12549923 0.79 IDO1 (0.44) ALDH1A1CYP1A2CYP2C9GLAGAA
SCHEMBL7875517 0.79 GAA (0.43) ALDH1A1CYP1A2GLAGAAMAPT
SCHEMBL12549868 0.79 CYP1A2 (0.43) ALDH1A1CYP1A2CYP2C9GLAGAA
SCHEMBL7863468 0.78 PTGS1 (0.54) PTGS1PTGS2CYP1A2PDE4BPDE4D
SCHEMBL7863514 0.76 IDO1 (0.42) PTGS1PTGS2ALDH1A1CYP1A2CYP2C9
SCHEMBL7875409 0.76 GAA (0.51) ALDH1A1CYP1A2CYP2C9GLAGAA
SCHEMBL7875527 0.75 GAA (0.40) ALDH1A1CYP1A2CYP2C9GLAGAA
SCHEMBL7868745 0.75 IDO1 (0.40) ALDH1A1CYP1A2CYP2C9GLAGAA
Trimethylammonium SCHEMBL7868762 0.74 GAA (0.39) ALDH1A1CYP1A2CYP2C9GLAGAA

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 365/4885ALDH1A1 2398/4885

“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.