SCHEMBL7863510

SCHEMBL7863510

O=c1c2cccc3ncc(c(=O)n1Cc1ccc(NS(=O)(=O)C(F)(F)F)cc1)n32

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
PTGS1 P23219 3/20 0.36
PTGS2 P35354 3/20 0.36
PTPN1 P18031 1/20 0.36
CA2 P00918 2/20 0.35
PTPN11 Q06124 1/20 0.35
PPARA Q07869 2/20 0.35
PPARG P37231 1/20 0.35
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CCR2 P41597 1/20 0.34
CA1 P00915 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
Hydrochloric Acid SCHEMBL7868754 0.99 AGTR1 (0.39) AGTR1AGTR2PTGS1PTGS2PTPN1
SCHEMBL7871601 0.91 AGTR1 (0.38) AGTR1AGTR2PTGS1PTGS2PTPN1
Hydrochloric Acid SCHEMBL7872485 0.90 AGTR1 (0.37) AGTR1AGTR2PTGS1PTGS2PTPN1
SCHEMBL7870304 0.86 ERCC5 (0.41) PPARASMN1; SMN2
Hydrochloric Acid SCHEMBL7872247 0.85 ERCC5 (0.41) PPARASMN1; SMN2
SCHEMBL7868691 0.76 IDO1 (0.36) CA2CA1
Hydrochloric Acid SCHEMBL7868709 0.75 IDO1 (0.36) CA2CA1
SCHEMBL7868716 0.75 IDO1 (0.36) CA2CA1
SCHEMBL7870221 0.74 MEN1 (0.31)
Hydrochloric Acid SCHEMBL7871547 0.74 IDO1 (0.35) CA2CA1

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 AGTR1 92/4885AGTR2 162/4885PTGS1 104/4885

“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.