SCHEMBL4774759

SCHEMBL4774759

CS(=O)(=O)Nc1cc(Br)cc(C(=O)c2ccnc(N3CCSCC3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
BRAF P15056 3/20 0.38
PIK3CA P42336 2/20 0.37
RAF1 P04049 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
P2RX7 Q99572 1/20 0.33
JAK2 O60674 1/20 0.33
FLT3 P36888 1/20 0.33
MAPK13 O15264 1/20 0.33
GAA P10253 1/20 0.33
ROS1 P08922 1/20 0.33
ALK Q9UM73 1/20 0.33

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
SCHEMBL4796230 0.90 KDM4E (0.41) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL4776885 0.88 PIK3CA (0.52) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL4792096 0.80 PIP4K2A (0.47) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL3937437 0.77 CYP3A4 (0.38) CYP1A2CYP3A4SMN1; SMN2LMNAALDH1A1
SCHEMBL4776483 0.76 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C19SMN1; SMN2LMNA
SCHEMBL3925104 0.76 KCNK3 (0.41) MEN1KMT2ACYP1A2CYP3A4SMN1; SMN2
SCHEMBL3937931 0.75 LMNA (0.49) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL3930613 0.71 PIK3CA (0.67) KDM4EPIK3CAATMMAPK13ALDH1A1
SCHEMBL1791657 0.70 PIK3CA (0.68) KDM4EBRAFPIK3CAALDH1A1MAPT
SCHEMBL4795493 0.70 PIP4K2A (0.48) MEN1KMT2AKDM4ECYP1A2CYP3A4

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 MEN1 1354/4885KMT2A 3984/4885KDM4E 3845/4885

“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.