SCHEMBL846035

SCHEMBL846035

O=C(Nc1cnc2ccccc2c1)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62
TMPRSS4 Q9NRS4 1/20 0.61
PYGL P06737 6/20 0.60
KDR P35968 5/20 0.58
NHERF1 O14745 6/20 0.58
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
ALDH1A1 P00352 1/20 0.55
KDM4E B2RXH2 1/20 0.54
MITF O75030 1/20 0.54
XBP1 P17861 1/20 0.54
PAX8 Q06710 1/20 0.54
KLF5 Q13887 1/20 0.54

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
SCHEMBL847146 0.91 TMPRSS4 (0.61) MEN1KMT2ARXFP1TMPRSS4PYGL
SCHEMBL14516654 0.83 MEN1 (0.70) MEN1KMT2ARXFP1PYGLNHERF1
SCHEMBL31058769 0.81 NHERF1 (0.78) MEN1KMT2ARXFP1PYGLNHERF1
SCHEMBL847002 0.81 TMPRSS4 (0.53) MEN1KMT2ATMPRSS4KDRNPC1
SCHEMBL14516656 0.77 NPC1 (0.68) MEN1KMT2ARXFP1NPC1RAB9A
SCHEMBL14503744 0.76 PYGL (0.65) MEN1KMT2ARXFP1PYGLNHERF1
SCHEMBL5405858 0.76 NHERF1 (0.67) MEN1KMT2ARXFP1PYGLNHERF1
SCHEMBL7462698 0.76 KDR (0.57) KDRNHERF1NPC1RAB9AALDH1A1
SCHEMBL330381 0.76 TMPRSS4 (1.00) MEN1KMT2ATMPRSS4KDRNPC1
SCHEMBL16627058 0.75 NPC1 (0.78) MEN1KMT2ARXFP1PYGLNHERF1

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-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US claimed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US claimed
EP-1603883-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-14 EP claimed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 US claimed
WO-2004069792-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (US) 2004-08-19 WO claimed
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP disclosed
EP-2308848-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor Janssen Pharmaceutica NV (BE) 2011-04-13 EP disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US disclosed
EP-1603883-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-14 EP disclosed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 US disclosed
WO-2004069792-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (US) 2004-08-19 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-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor TRPV1, OPRL1, TRPV2 MEN1 4610/4885KMT2A 2415/4885RXFP1 228/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 MEN1 4610/4885KMT2A 2415/4885RXFP1 228/4885

“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.