SCHEMBL4382877

SCHEMBL4382877

N#C/C(=C1\NCCN1CCCO)S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.35
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.34
ALDH1A1 P00352 5/20 0.33
HPGD P15428 4/20 0.33
HTR6 P50406 3/20 0.32
SFRP1 Q8N474 1/20 0.32
PKM P14618 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
USP2 O75604 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL4382878 1.00 KMT2A (0.40) KMT2AMEN1MAPTHSD17B10SMN1; SMN2
SCHEMBL4388569 0.80 MEN1 (0.35) KMT2AMEN1
SCHEMBL4394520 0.72 HRH3 (0.37) KMT2AMEN1ALDH1A1
SCHEMBL4389606 0.69 KMT2A (0.36) KMT2AMEN1MAPTHSD17B10SMN1; SMN2
SCHEMBL4389603 0.69 KMT2A (0.36) KMT2AMEN1MAPTHSD17B10SMN1; SMN2
SCHEMBL4383229 0.65 HRH3 (0.39)
SCHEMBL4390592 0.64 HRH3 (0.50) KMT2AMEN1MAPTHSD17B10
SCHEMBL4385874 0.64 HRH3 (0.50) KMT2AMEN1MAPTHSD17B10
SCHEMBL4389575 0.64 HRH3 (0.50) KMT2AMEN1MAPTHSD17B10
SCHEMBL4389577 0.64 HRH3 (0.50) KMT2AMEN1MAPTHSD17B10

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 1 patent. 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

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 441/4885MEN1 3396/4885MAPT 4474/4885

“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.