SCHEMBL6399537

SCHEMBL6399537

OC[C@H](SCc1cnc2ccccc2c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
MGAM O43451 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
RAB9A P51151 2/20 0.39
CFTR P13569 1/20 0.39
ACP1 P24666 1/20 0.38
FAAH O00519 3/20 0.37
CYP1A2 P05177 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 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
SCHEMBL6983641 1.00 MEN1 (0.46) MEN1KMT2APDGFRBPDGFRAMGAM
SCHEMBL6982024 0.87 FAAH (0.44) MEN1KMT2APDGFRBPDGFRAALDH1A1
SCHEMBL6403012 0.87 FAAH (0.44) MEN1KMT2APDGFRBPDGFRAALDH1A1
SCHEMBL6400707 0.81 DYRK3 (0.31) MEN1KMT2AMAPT
SCHEMBL6405033 0.80 MASP2 (0.36) MEN1KMT2AALDH1A1MAPTPKM
SCHEMBL6400559 0.76 MEN1 (0.41) MEN1KMT2APDGFRBPDGFRAMGAM
SCHEMBL10673413 0.74 CYP1A2 (0.50) PDGFRBPDGFRAMGAMALDH1A1KDM1A
SCHEMBL28361265 0.74 MEN1 (0.51) MEN1KMT2APDGFRBPDGFRAMGAM
SCHEMBL4664285 0.73 KDM1A (0.47) MEN1KMT2APDGFRBPDGFRAMGAM
SCHEMBL701411 0.72 ALDH1A1 (0.53) KMT2APDGFRBPDGFRAMGAMALDH1A1

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
US-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides SMITHKLINE BEECHAM PLC 2005-12-29 US disclosed
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP disclosed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 US disclosed
EP-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP disclosed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 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 (2 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-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides CD22, CD2, NEU3 MEN1 2010/4885KMT2A 2661/4885PDGFRB 863/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 MEN1 1518/4885KMT2A 2906/4885PDGFRB 1204/4885

“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.