SCHEMBL758009

SCHEMBL758009

N=C(N)c1ccccc1OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
PARP1 P09874 1/20 0.55
SGMS2 Q8NHU3 4/20 0.54
F9 P00740 1/20 0.54
F10 P00742 1/20 0.54
LTA4H P09960 1/20 0.53
MAPK14 Q16539 1/20 0.53
F2 P00734 2/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
GAA P10253 1/20 0.50
LIPE Q05469 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48

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 SCHEMBL23541018 0.98 HTT (0.57) HTTPARP1SGMS2F9F10
Hydrochloric Acid SCHEMBL23541286 0.93 F2 (0.59) HTTPARP1SGMS2F9F10
Hydrochloric Acid SCHEMBL5743216 0.85 F2 (0.52) HTTPARP1SGMS2F9F10
SCHEMBL30359922 0.84 HTR1A (0.56) SGMS2F9F10F2ALDH1A1
SCHEMBL21585887 0.84 HTR1A (0.56) SGMS2F9F10F2ALDH1A1
Hydrochloric Acid SCHEMBL28500564 0.83 KLK8 (0.55) SGMS2F9F10F2ALDH1A1
SCHEMBL718082 0.82 PARP1 (0.79) HTTPARP1SGMS2NPC1MAPT
SCHEMBL7900714 0.82 HTT (0.59) HTTPARP1SGMS2LTA4HMAPK14
SCHEMBL4143074 0.82 NPC1 (0.55) HTTPARP1SGMS2F9F10
SCHEMBL6952466 0.81 NPC1 (0.55) HTTPARP1SGMS2LTA4HMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020201305-A1 4-(2,4-BIS(2-HYDROXYPHENYL)-1H-IMIDAZOL-1-YL)BENZOIC ACID DERIVATIVES AS NOVEL IRON CHELATORS VIFOR (INTERNATIONAL) AG (CH) 2020-10-08 WO disclosed
WO-2020201305-A1 4-(2,4-BIS(2-HYDROXYPHENYL)-1H-IMIDAZOL-1-YL)BENZOIC ACID DERIVATIVES AS NOVEL IRON CHELATORS VIFOR (INTERNATIONAL) AG (CH) 2020-10-08 WO disclosed
EP-1928818-B1 PESTICIDE BENZYLOXY- AND PHENETYL-SUBSTITUTED PHENYL-AMIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-03-21 EP disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
EP-1951244-A2 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
EP-1928818-A1 PESTICIDE BENZYLOXY- AND PHENETYL-SUBSTITUTED PHENYL-AMIDINE DERIVATIVES Bayer CropScience AG (DE) 2008-06-11 EP disclosed
WO-2007062370-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO disclosed
WO-2007031526-A1 PESTICIDE BENZYLOXY- AND PHENETYL-SUBSTITUTED PHENYL-AMIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2007-03-22 WO disclosed
EP-1237897-A2 ANTITHROMBOTIC COMPOUND Akzo Nobel N.V. (NL) 2002-09-11 EP disclosed
CN-1340049-A 4- (heterocyclylsulfonylamino) -5-methoxy-6- (2-methoxyphenoxy) -2-phenyl-or-pyridylpyrimidines as endothelin receptor antagonists HOFFMANN LA ROCHE (CH) 2002-03-13 CN disclosed
WO-2001042262-A2 ANTITHROMBOTIC COMPOUND AKZO NOBEL N.V. (NL) 2001-06-14 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-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB HTT 3362/4885PARP1 3786/4885SGMS2 266/4885

“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.