SCHEMBL4935286

SCHEMBL4935286

O=C(Nc1ccc2c(c1)OCO2)Nc1c2c(nn1-c1ccccc1)CSC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
MAPT P10636 4/20 0.61
TSHR P16473 3/20 0.61
HSD17B10 Q99714 2/20 0.61
POLB P06746 6/20 0.56
ALDH1A1 P00352 4/20 0.56
LMNA P02545 3/20 0.56
HPGD P15428 2/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MEN1 O00255 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
USP2 O75604 1/20 0.51
ATM Q13315 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 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
SCHEMBL4935470 0.88 POLB (0.70) KDM4EMAPTTSHRHSD17B10POLB
SCHEMBL13235187 0.84 MAPT (0.64) MAPTTSHRHSD17B10POLBALDH1A1
SCHEMBL4939487 0.81 TSHR (0.61) KDM4EMAPTTSHRHSD17B10POLB
SCHEMBL13235183 0.81 MAPT (0.58) MAPTPOLBLMNAKMT2AMEN1
SCHEMBL4936156 0.79 MAPT (0.66) MAPTPOLBKMT2ATP53
SCHEMBL27691404 0.79 MAPT (0.60) MAPTHSD17B10POLBKMT2ATP53
SCHEMBL15715997 0.77 MAPT (0.69) MAPTTSHRHSD17B10POLBALDH1A1
SCHEMBL4937698 0.77 MAPT (0.55) MAPTPOLBKMT2ATP53
SCHEMBL13413797 0.76 HSD17B10 (0.82) KDM4EMAPTTSHRHSD17B10POLB
SCHEMBL13413798 0.74 MAPT (0.81) KDM4EMAPTTSHRHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080081833-A1 Novel Pyrazole Derivatives And Their Use As Modulators Of Nicotinic Acetylcholine Receptors ASTRAZENECA AB (SE) 2008-04-03 US claimed
EP-1831228-A1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS AstraZeneca AB (SE) 2007-09-12 EP claimed
WO-2006068591-A1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS ASTRAZENECA AB (SE) 2006-06-29 WO claimed
US-20080081833-A1 Novel Pyrazole Derivatives And Their Use As Modulators Of Nicotinic Acetylcholine Receptors ASTRAZENECA AB (SE) 2008-04-03 US disclosed
US-20080081833-A1 Novel Pyrazole Derivatives And Their Use As Modulators Of Nicotinic Acetylcholine Receptors ASTRAZENECA AB (SE) 2008-04-03 US disclosed
US-20080081833-A1 Novel Pyrazole Derivatives And Their Use As Modulators Of Nicotinic Acetylcholine Receptors ASTRAZENECA AB (SE) 2008-04-03 US disclosed
EP-1831228-A1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006068591-A1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS ASTRAZENECA AB (SE) 2006-06-29 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-20080081833-A1 Novel Pyrazole Derivatives And Their Use As Modulators Of Nicotinic Acetylcholine Receptors CHRM2, CHRNA1, CHRM1 KDM4E 3793/4885MAPT 1368/4885TSHR 234/4885

“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.