SCHEMBL4387941

SCHEMBL4387941

CS(=O)(=O)OCCCN1CCN(CCCBr)/C1=C(\C#N)S(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
CNR2 P34972 1/20 0.30
PKM P14618 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL4387944 1.00 KMT2A (0.39) KMT2AHSD17B10MEN1MAPTKDM4E
SCHEMBL4388528 0.85 KDM4E (0.33) KDM4EALDH1A1ALOX15
SCHEMBL4387674 0.85 KMT2A (0.35) KMT2AHSD17B10MEN1MAPTKDM4E
SCHEMBL4387677 0.85 KMT2A (0.35) KMT2AHSD17B10MEN1MAPTKDM4E
SCHEMBL4388025 0.83 HRH3 (0.43) HRH2HRH1
SCHEMBL4388027 0.83 HRH3 (0.43) HRH2HRH1
SCHEMBL4384335 0.80 HRH3 (0.45) KDM4EALDH1A1ALOX15
SCHEMBL4389736 0.76 HRH3 (0.45) KDM4EALDH1A1ALOX15
SCHEMBL4389603 0.75 KMT2A (0.36) KMT2AHSD17B10MEN1MAPTKDM4E
SCHEMBL4386210 0.75 KMT2A (0.36) KMT2AHSD17B10MEN1MAPTKDM4E

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-20090181948-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-16 US disclosed
EP-1847530-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP 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-20090181948-A1 DIAMINE DERIVATIVE ARG1, PRMT5, PRMT1 KMT2A 441/4885HSD17B10 1986/4885MEN1 3396/4885

“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.