SCHEMBL3686175

SCHEMBL3686175

C#Cc1cc(C(F)(F)F)c2nc(C(=O)O)c(Cl)n2c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.34
PPARG P37231 2/20 0.33
KMT2A Q03164 2/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
TAS2R14 Q9NYV8 1/20 0.31
PKM P14618 1/20 0.31
EGLN1 Q9GZT9 2/20 0.31
MEN1 O00255 1/20 0.31
KMO O15229 1/20 0.30
GRIK1 P39086 1/20 0.30

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
SCHEMBL3684234 0.88 RBP4 (0.35) TAS2R14EGLN1
SCHEMBL1583925 0.86 NOTUM (0.36) KMT2APKMMEN1
SCHEMBL3695822 0.86 ALDH1A1 (0.33) KMT2AMEN1
SCHEMBL3694561 0.84 HAO1 (0.36) RORCKMT2APTGS1PTGS2MEN1
SCHEMBL3695809 0.83 KMO (0.30) KMO
SCHEMBL1583259 0.83 KMT2A (0.42) KMT2APKMEGLN1KMOGRIK1
SCHEMBL1583236 0.82 EGLN1 (0.33) RORCKMT2APKMEGLN1MEN1
SCHEMBL3685645 0.82 PTPRC (0.32) KMT2AMEN1
SCHEMBL3066355 0.81 EGLN1 (0.32) KMT2APKMEGLN1MEN1KMO
SCHEMBL1583276 0.81 EPRS1 (0.35) RORCKMT2APKMEGLN1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
EP-2187883-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2010-05-26 EP disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US disclosed
WO-2009023179-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-02-19 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 RORC 480/4885PPARG 451/4885KMT2A 3145/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 RORC 480/4885PPARG 451/4885KMT2A 3145/4885

“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.