SCHEMBL201386

SCHEMBL201386

O=C(NOCc1ccccc1)[C@@H]1SCCN1C(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 2/20 0.44
SPHK1 Q9NYA1 1/20 0.44
HTT P42858 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HDAC1 Q13547 1/20 0.40
NAAA Q02083 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
LTA4H P09960 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL201387 1.00 SPHK2 (0.44) SPHK2SPHK1HTTNPC1RAB9A
SCHEMBL202603 0.83 NPC1 (0.44) NPC1RAB9ASMN1; SMN2
SCHEMBL201381 0.77 STS (0.43) HTTNPC1RAB9AHDAC1MEN1
SCHEMBL201382 0.77 STS (0.43) HTTNPC1RAB9AHDAC1MEN1
SCHEMBL203188 0.75 HCRTR1 (0.45)
SCHEMBL201557 0.75 HCRTR1 (0.41) NPC1RAB9A
SCHEMBL10712232 0.74 KMT2A (0.44) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL201123 0.73 LMNA (0.37) LMNA
SCHEMBL202498 0.73 MTTP (0.45)
SCHEMBL1909368 0.70 NPC1 (0.55) NPC1RAB9AMEN1KMT2AALDH1A1

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-8088804-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2012-01-03 US disclosed
EP-2338878-A2 N-hydroxyamide derivatives possessing antibacterial activity Vicuron Pharmaceuticals, Inc. (US) 2011-06-29 EP disclosed
US-20100022605-A1 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. 2010-01-28 US disclosed
EP-1963262-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2008-09-03 EP disclosed
WO-2007069020-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-06-21 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-20100022605-A1 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY NAAA, HDHD5, HACL2 SPHK2 4530/4885SPHK1 4215/4885HTT 434/4885

“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.