SCHEMBL4173495

SCHEMBL4173495

Nc1cc(F)c(Br)c(F)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
GLA P06280 1/20 0.36
KEAP1 Q14145 1/20 0.36
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
DGAT1 O75907 1/20 0.32
KMT2A Q03164 3/20 0.31
GFER P55789 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MEN1 O00255 2/20 0.30
HSD17B10 Q99714 2/20 0.30
GAA P10253 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
EGLN1 Q9GZT9 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
SCHEMBL26981510 0.83 THRB (0.39) HDAC1HDAC6CA1CA2CA4
SCHEMBL13469362 0.82 CA1 (0.40) KDM4EKEAP1HDAC1HDAC6CA1
SCHEMBL31568168 0.79 CGAS (0.38) KDM4EGLACA1CA2GFER
SCHEMBL22833391 0.77 CYP3A4 (0.40) KDM4EKEAP1CA1CA2CA4
SCHEMBL31406526 0.74 HDAC1 (0.41) KDM4EGLAKEAP1HDAC1HDAC6
SCHEMBL2039681 0.74 KDM4E (0.41) KDM4EGLAKEAP1HDAC1HDAC6
SCHEMBL16636836 0.74 CYP3A4 (0.38) KDM4EGLAKEAP1CA1CA2
SCHEMBL19130846 0.74 KEAP1 (0.39) KDM4EGLAKEAP1HDAC1HDAC6
SCHEMBL670666 0.74 CA1 (0.45) KDM4EKEAP1HDAC1HDAC6CA1
SCHEMBL27100881 0.74 CA1 (0.50) HDAC1HDAC6CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 US disclosed
EP-1996562-A1 SUBSTITUTED 4-AMINO-QUINAZOLINE DERIVATIVES AS REGULATORS OF METABOTROPIC GLUTAMATE RECEPTORS AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-12-03 EP disclosed
WO-2007104560-A1 SUBSTITUTED 4-AMINO-QUINAZOLINE DERIVATIVES AS REGULATORS OF METABOTROPIC GLUTAMATE RECEPTORS AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-09-20 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-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 KDM4E 2026/4885GLA 3667/4885KEAP1 2152/4885

“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.