SCHEMBL2476400

SCHEMBL2476400

C=CCOc1ccc(C#N)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.47
AR P10275 2/20 0.46
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
TRPV4 Q9HBA0 3/20 0.43
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NSD2 O96028 1/20 0.42
NSD3 Q9BZ95 1/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA9 Q16790 4/20 0.40

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
SCHEMBL7408997 0.81 MAPT (0.46) MAOBMAOAMEN1LMNAMAPT
SCHEMBL3965716 0.81 MEN1 (0.45) MAOBMAOATRPV4CYP11B1CYP11B2
SCHEMBL30826239 0.79 SMN1; SMN2 (0.49) MAOBMEN1LMNAMAPTKMT2A
SCHEMBL28303519 0.77 PLA2G7 (0.46) MAOBMAOAMEN1LMNAMAPT
SCHEMBL21728104 0.77 ALDH1A1 (0.46) MAOBMAOAMEN1LMNAMAPT
SCHEMBL5901307 0.77 MAOB (0.48) ARMAOBMAOACYP11B1CYP11B2
SCHEMBL23795076 0.76 MAOB (0.53) ARMAOBMAOAMEN1LMNA
SCHEMBL13223331 0.75 CYP11B1 (0.51) MRGPRX4ARMAOBTRPV4CYP11B1
SCHEMBL2478120 0.75 MAOB (0.42) MAOBTRPV4ADRA2AADRA2BADRA2C
SCHEMBL30580547 0.75 AR (0.50) MRGPRX4ARMAOBTRPV4CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2370438-A1 IMIDAZO [1,2A]PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION Exelixis, Inc. (US) 2011-10-05 EP disclosed
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 US disclosed
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 US disclosed
WO-2010065760-A1 IMIDAZO [1,2A] PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION EXELIXIS, INC. (US) 2010-06-10 WO disclosed
WO-2010065760-A1 IMIDAZO [1,2A] PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION EXELIXIS, INC. (US) 2010-06-10 WO disclosed
EP-0888327-B1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION MENARINI LAB (ES) 2002-06-12 EP disclosed
US-5990142-A ANTIINFLAMMATORY AGENTS AND ANTIALLERGENS HAVING GOOD ORAL ADSORPTION AND BIOAVAILABILITY; CARDIOTONIC AND ANTIISCHEMIC AGENTS LABORATORIOS MENARINI S.A. (ES) 1999-11-23 US disclosed
EP-0888327-A1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1999-01-07 EP disclosed
WO-1997034885-A1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-09-25 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-20100160369-A1 S1P1 Agonists and Methods of Making And Using S1PR1, S1PR5, S1PR3 MRGPRX4 55/4885AR 1046/4885MAOB 2066/4885

“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.