SCHEMBL13723490

SCHEMBL13723490

OB(O)c1cc(F)ccc1OCc1cccc(F)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.58
LIPE Q05469 1/20 0.57
LMNA P02545 2/20 0.54
MRGPRX4 Q96LA9 1/20 0.52
MAOB P27338 8/20 0.51
HTR6 P50406 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
IDO1 P14902 1/20 0.49
AGXT P21549 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NR4A2 P43354 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
SCHEMBL2558783 0.91 ENPP2 (0.71) ENPP2LIPELMNAMRGPRX4MAOB
SCHEMBL1956146 0.91 LIPE (0.71) ENPP2LIPELMNAMRGPRX4L3MBTL1
SCHEMBL30631550 0.91 ENPP2 (0.71) ENPP2LIPELMNAMRGPRX4MAOB
SCHEMBL29825616 0.91 LIPE (0.71) ENPP2LIPELMNAMRGPRX4L3MBTL1
SCHEMBL2559611 0.90 ENPP2 (0.75) ENPP2LIPELMNAMRGPRX4MAOB
SCHEMBL2558644 0.90 MRGPRX4 (0.52) ENPP2LIPELMNAMRGPRX4MAOB
SCHEMBL2558251 0.87 LIPE (0.56) ENPP2LIPELMNAMAOBMAPT
SCHEMBL9946044 0.87 ENPP2 (0.62) ENPP2LIPELMNAMRGPRX4MAOB
SCHEMBL28118821 0.85 MAOB (0.60) ENPP2LMNAMRGPRX4MAOBCYP1A2
SCHEMBL29953323 0.83 LRRK2 (0.50) ENPP2LIPELMNAHTR6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-2699554-B1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES BAYER IP GMBH (DE) 2016-11-02 EP disclosed
US-8916557-B2 Substituted 4-Aryl-N-phenyl-1,3,5-triazin-2-amines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-23 US disclosed
EP-2699554-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES Bayer Intellectual Property GmbH (DE) 2014-02-26 EP disclosed
US-20140045852-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-13 US disclosed
WO-2012143399-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 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-20140045852-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES PAH, NAT1, H1-5 ENPP2 1266/4885LIPE 3205/4885LMNA 301/4885

“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.