SCHEMBL1174086

SCHEMBL1174086

CC1(C)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])Cc2cc(C(=O)NOC3CCCCO3)sc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ GSTP1 P09211 1/20 0.39
▸ GSTM2 P28161 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ POLB P06746 1/20 0.37
▸ MCOLN3 Q8TDD5 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1174167 0.80 LMNA (0.50) NPC1EPHX2LMNAKMT2AMEN1
SCHEMBL12869309 0.78 RAB9A (0.34) NPC1EPHX2GSTP1GSTM2LMNA
SCHEMBL1175345 0.78 PKM (0.47) NPC1LMNAKMT2AMEN1ALDH1A1
SCHEMBL2523852 0.75 EPHX2 (0.44) NPC1EPHX2GSTP1GSTM2LMNA
SCHEMBL7797109 0.72 ALDH1A1 (0.42) NPC1LMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL1175508 0.70 EPHX2 (0.33) NPC1EPHX2GSTP1GSTM2KMT2A
SCHEMBL6535061 0.67 KMT2A (0.60) EPHX2KMT2AMEN1HTTALDH1A1
SCHEMBL1175212 0.67 LMNA (0.50) NPC1EPHX2LMNAKMT2AMEN1
SCHEMBL17899650 0.62 KMT2A (0.46) EPHX2LMNAKMT2AMEN1ALDH1A1
SCHEMBL12610613 0.62 ALDH1A1 (0.49) NPC1EPHX2LMNAKMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 — — US disclosed
US-8624040-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-01-07 — — US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 — — US disclosed
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 — — 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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 NPC1 1431/4885EPHX2 1446/4885GSTP1 864/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 NPC1 1431/4885EPHX2 1446/4885GSTP1 864/4885

“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.

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