SCHEMBL4796230

SCHEMBL4796230

CS(=O)(=O)Nc1cc(Br)cc(C(=O)c2ccnc(N3CCCCC3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
PROKR1 Q8TCW9 2/20 0.39
NMT1 P30419 1/20 0.39
PIK3CA P42336 2/20 0.38
MAPK14 Q16539 2/20 0.37
RAF1 P04049 1/20 0.37
HSPB1 P04792 1/20 0.37
LYN P07948 1/20 0.37
TP53 P04637 3/20 0.37
MAPT P10636 3/20 0.37
PRKD3 O94806 1/20 0.37
PRKD1 Q15139 1/20 0.37

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
SCHEMBL4776885 0.90 PIK3CA (0.52) KDM4EMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL4774759 0.90 MEN1 (0.40) KDM4EMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL4795493 0.79 PIP4K2A (0.48) KDM4EMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL3937437 0.79 CYP3A4 (0.38) CYP1A2CYP3A4TP53EPHX2LMNA
SCHEMBL4776483 0.77 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C19MAPK1PROKR1
SCHEMBL3925104 0.77 KCNK3 (0.41) MEN1CYP1A2CYP3A4KMT2AHPGD
SCHEMBL3937931 0.77 LMNA (0.49) MEN1KMT2AGAAHPGDLMNA
SCHEMBL27991055 0.76 PIK3CA (0.58) PROKR1PIK3CAMAPK14PRKD3PRKD1
SCHEMBL3930613 0.73 PIK3CA (0.67) KDM4EHPGDPIK3CAMAPK14DYRK1A
SCHEMBL3930503 0.71 NAMPT (0.49) CYP1A2CYP3A4CYP2C19KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 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-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 KDM4E 3845/4885MEN1 1354/4885CYP1A2 3628/4885

“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.