SCHEMBL3562440

SCHEMBL3562440

O=C(NS(=O)(=O)c1ccc(Cl)cc1)C1=NN(c2ccc(Cl)cc2)C(c2ccccc2)C1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.74
CNR2 P34972 6/20 0.59
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
FLT1 P17948 2/20 0.51
FLT4 P35916 2/20 0.51
KDR P35968 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PTGS2 P35354 2/20 0.48
PDE5A O76074 1/20 0.47
PTGS1 P23219 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL16340085 1.00 CNR1 (0.74) CNR1CNR2CA1CA2FLT1
SCHEMBL17247322 0.91 CNR1 (0.63) CNR1CNR2CA1CA2
SCHEMBL17150867 0.88 CNR1 (0.73) CNR1CNR2CA1CA2PDE5A
SCHEMBL16339982 0.88 CNR1 (0.73) CNR1CNR2CA1CA2PDE5A
SCHEMBL3560023 0.88 CNR1 (0.77) CNR1CNR2CA1CA2FLT1
SCHEMBL3561680 0.85 CNR1 (1.00) CNR1CNR2CA1CA2
SCHEMBL3562624 0.83 CNR1 (0.75) CNR1CNR2CA1CA2L3MBTL1
SCHEMBL3562619 0.83 CNR1 (0.76) CNR1CNR2CA1CA2ALDH1A1
SCHEMBL16340252 0.81 CNR1 (0.65) CNR1CNR2CA1CA2PDE5A
SCHEMBL1023193 0.81 CNR1 (0.58) CNR1CNR2CA1CA2L3MBTL1

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
WO-2015152550-A1 4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXIMIDAMIDE DERIVATIVES CONTAINING SULFUR GROUPS, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME HANMI PHARM. CO., LTD. (KR) 2015-10-08 WO disclosed
WO-2014208939-A1 1,5-DIARYL-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXAMIDINE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONIST, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME HANMI PHARM. CO., LTD. (KR) 2014-12-31 WO disclosed
US-7745476-B2 1,3,5-trisubstituted 4,5-dihydro-1H-pyrazole derivatives having CB1-antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2010-06-29 US disclosed
CN-100563651-C With CB1-antagonistic activity of 1 SOLVAY PHARM BV (NL) 2009-12-02 CN disclosed
EP-1713475-B1 1,3,5-TRISUBSTITUTED 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVES HAVING CB1-ANTAGONISTIC ACTIVITY SOLVAY PHARM BV (NL) 2008-07-30 EP disclosed
CN-1913885-A With CB1Antagonistic 1,3, 5-trisubstituted 4, 5-dihydro-1H-pyrazole derivatives SOLVAY PHARM BV (NL) 2007-02-14 CN disclosed
EP-1713475-A1 1,3,5-TRISUBSTITUTED 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVES HAVING CB1-ANTAGONISTIC ACTIVITY Solvay Pharmaceuticals B.V. (NL) 2006-10-25 EP disclosed
WO-2005074920-A1 1,3,5-TRISUBSTITUTED 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVES HAVING CB1-ANTAGONISTIC ACTIVITY SOLVAY PHARMACEUTICALS B.V. (NL) 2005-08-18 WO disclosed
US-20050171179-A1 1,3,5-trisubstituted 4,5-dihydro-1H-pyrazole derivatives having CB1-antagonistic activity SOLVAY PHARMACEUTICALS B.V. 2005-08-04 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 (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-20050171179-A1 1,3,5-trisubstituted 4,5-dihydro-1H-pyrazole derivatives having CB1-antagonistic activity CNR2, CNR1, TBXA2R CNR1 2/4885CNR2 1/4885CA1 1394/4885

“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.