SCHEMBL1174084

SCHEMBL1174084

O=C(NO)c1cc2c(s1)CC1CCCC2N1C(=O)c1cccn1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 7/20 0.40
▸ MGLL Q99685 12/20 0.33
▸ SCN4A P35499 1/20 0.32
▸ SCN3A Q9NY46 1/20 0.32
▸ HDAC8 Q9BY41 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
SCHEMBL7795389 0.73 HDAC6 (0.74) HDAC6HDAC8
SCHEMBL7789359 0.71 HDAC6 (0.34) HDAC6
SCHEMBL12883063 0.67 TSHR (0.55) HDAC6
SCHEMBL1174329 0.65 HDAC6 (0.40) HDAC6HDAC8
SCHEMBL25446988 0.62 NPC1 (0.41) —
SCHEMBL7864579 0.61 HDAC6 (0.59) HDAC6HDAC8
SCHEMBL25446986 0.61 NPC1 (0.42) HDAC6HDAC8
SCHEMBL1812388 0.60 KDM4E (0.43) —
SCHEMBL9955674 0.60 L3MBTL1 (0.41) HDAC6HDAC8
SCHEMBL7866459 0.59 HDAC6 (0.51) HDAC6HDAC8

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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 — — US disclosed
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
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 — — 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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HDAC6 1/4885MGLL 4607/4885SCN4A 2586/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885MGLL 4607/4885SCN4A 2586/4885

“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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