SCHEMBL544895

SCHEMBL544895

COC(=O)c1ccc(-c2c(OC)cccc2OC)c(-c2ccc(Cl)c(OCc3ccccc3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.47
PPIA P62937 1/20 0.46
NOTUM Q6P988 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HPGD P15428 4/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
SMPD1 P17405 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MRGPRX4 Q96LA9 3/20 0.45
MEN1 O00255 1/20 0.45
MITF O75030 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL4041344 0.92 MRGPRX4 (0.55) PTGER1CYP2C9HPGDRAB9ANPC1
SCHEMBL559537 0.82 NOTUM (0.58) NOTUMKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL544932 0.82 KDR (0.41) KDM4ERAB9ANPC1SMN1; SMN2MEN1
SCHEMBL543934 0.79 NOTUM (0.47) PTGER1NOTUMKDM4EALDH1A1CYP1A2
SCHEMBL544227 0.76 NOTUM (0.46) PTGER1NOTUMKDM4EALDH1A1CYP1A2
SCHEMBL3231604 0.75 MRGPRX4 (0.63) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL544401 0.75 PDE4A (0.44) KDM4EALDH1A1LMNAMAPTATM
SCHEMBL6703561 0.74 CNR1 (0.53) HPGDRAB9ANPC1SMN1; SMN2MRGPRX4
SCHEMBL16055873 0.74 CYP11B1 (0.55) PTGER1PPIAHPGDRAB9ANPC1
SCHEMBL2188210 0.74 SMPD1 (0.76) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19

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-8552201-B2 5, 6-bisaryl-2-pyridine-carboxamide derivatives, preparation and application thereof in therapeutics as urotensin II receptor antagonists SANOFI (FR) 2013-10-08 US disclosed
US-20120108611-A1 5, 6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS 2012-05-03 US disclosed
US-8110579-B2 5,6-bisaryl-2-pyridine-carboxamide derivatives, preparation and application thereof in therapeutics as urotensin II receptor antagonists SANOFI-AVENTIS (FR) 2012-02-07 US disclosed
US-20090318473-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI AVENTIS 2009-12-24 US 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-20090318473-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 PTGER1 483/4885PPIA 2233/4885NOTUM 3247/4885
US-20120108611-A1 5, 6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 PTGER1 483/4885PPIA 2233/4885NOTUM 3247/4885

“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.