SCHEMBL2523852

SCHEMBL2523852

O=C(NOC1CCCCO1)c1cc2n(n1)CCCN(S(=O)(=O)c1ccccc1[N+](=O)[O-])C2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ GSTP1 P09211 1/20 0.40
▸ GSTM2 P28161 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MCOLN3 Q8TDD5 1/20 0.36
▸ PKM P14618 1/20 0.35

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
SCHEMBL25433999 0.80 ALDH1A1 (0.53) EPHX2NPC1ALDH1A1KMT2AMEN1
SCHEMBL30502812 0.79 ALDH1A1 (0.54) EPHX2NPC1ALDH1A1KMT2AMEN1
SCHEMBL26890594 0.79 ALDH1A1 (0.54) EPHX2NPC1ALDH1A1KMT2AMEN1
SCHEMBL2519991 0.79 ALDH1A1 (0.54) EPHX2NPC1ALDH1A1KMT2AMEN1
SCHEMBL31217219 0.79 ALDH1A1 (0.47) EPHX2NPC1ALDH1A1KMT2AMEN1
SCHEMBL25434818 0.76 ALDH1A1 (0.50) EPHX2NPC1ALDH1A1KMT2AMEN1
SCHEMBL30502819 0.76 PKM (0.47) EPHX2NPC1ALDH1A1KMT2AMEN1
SCHEMBL30502815 0.76 PKM (0.47) EPHX2NPC1ALDH1A1KMT2AMEN1
SCHEMBL2520783 0.76 PKM (0.47) EPHX2NPC1ALDH1A1KMT2AMEN1
SCHEMBL1174086 0.75 NPC1 (0.41) EPHX2NPC1ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
US-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
US-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
US-8946223-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-03 — — US disclosed
US-8946223-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-03 — — US disclosed
WO-2011130163-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-20 — — WO disclosed
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-13 — — US disclosed
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-13 — — 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 (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-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 EPHX2 2094/4885NPC1 2742/4885ALDH1A1 828/4885
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 EPHX2 2094/4885NPC1 2742/4885ALDH1A1 828/4885

“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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