SCHEMBL3875432

SCHEMBL3875432

CS(=O)(=O)c1nc(OCc2ccccc2)cc(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SDHB P21912 8/20 0.51
NPSR1 Q6W5P4 4/20 0.51
LMNA P02545 3/20 0.51
TP53 P04637 3/20 0.51
HPGD P15428 3/20 0.51
KMT2A Q03164 3/20 0.51
HTT P42858 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MEN1 O00255 1/20 0.51
S1PR4 O95977 1/20 0.51
POLB P06746 1/20 0.51
S1PR1 P21453 1/20 0.51
MAPK1 P28482 1/20 0.51
STAT3 P40763 1/20 0.51
STAT1 P42224 1/20 0.51
RAB9A P51151 1/20 0.51
TLR9 Q9NR96 1/20 0.51
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
PTPN1 P18031 1/20 0.42

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
SCHEMBL4592830 0.92 CTSK (0.50) SDHBNPSR1LMNATP53HPGD
SCHEMBL5593061 0.83 SDHB (0.68) SDHBNPSR1LMNATP53HPGD
SCHEMBL3875774 0.81 LMNA (0.46) LMNAHPGDHSD17B10KDM4EPTPN1
SCHEMBL8560362 0.79 SDHB (0.56) SDHBNPSR1LMNATP53HPGD
SCHEMBL19805611 0.79 SDHB (0.74) SDHBNPSR1LMNATP53HPGD
SCHEMBL27739899 0.79 PTPN1 (0.42) KMT2AMEN1KDM4EPTPN1PTPN6
SCHEMBL3873029 0.78 CTSK (0.57) CYP3A4KCNH2
SCHEMBL3875223 0.78 CTSK (0.48) SDHBNPSR1LMNATP53HPGD
SCHEMBL3569045 0.77 SDHB (0.76) SDHBNPSR1LMNATP53HPGD
SCHEMBL8666474 0.76 SDHB (0.56) SDHBNPSR1LMNATP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928842-B1 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES ORGANON NV (NL) 2009-11-18 EP disclosed
EP-1928842-A1 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. Organon (NL) 2008-06-11 EP disclosed
US-7326715-B2 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2008-02-05 US disclosed
US-20070111992-A1 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2007-05-17 US disclosed
WO-2007039470-A1 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2007-04-12 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-20070111992-A1 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives CTSK, CTSS, CTSF SDHB 3324/4885NPSR1 613/4885LMNA 2979/4885

“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.