SCHEMBL2117667

SCHEMBL2117667

O=C(NO)c1ccc2ccn(CCc3c[nH]c4ccccc34)c(=O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CDK4 P11802 2/20 0.49
CCND1 P24385 2/20 0.49
HDAC6 Q9UBN7 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC8 Q9BY41 2/20 0.45
APP P05067 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP2C19 P33261 1/20 0.44
MMP9 P14780 1/20 0.44
ERAP2 Q6P179 1/20 0.44

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
SCHEMBL2116633 0.94 HDAC1 (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2116317 0.84 HDAC1 (0.45) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL27898642 0.77 MAPT (0.50) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2611250 0.77 HDAC8 (0.51) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL2118959 0.77 HDAC6 (0.45) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL2611388 0.76 HDAC6 (0.46) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL2611462 0.76 HDAC1 (0.56) SMN1; SMN2ALDH1A1HDAC6HDAC1HDAC2
SCHEMBL2611354 0.76 HDAC6 (0.44) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL2611370 0.75 HDAC6 (0.51) MAPTHDAC6HDAC1HDAC2HDAC3
SCHEMBL2118556 0.74 HDAC6 (0.45) HDAC6HDAC1HDAC2HDAC3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
WO-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 WO disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 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-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 NPC1 3585/4885RAB9A 1243/4885SMN1; SMN2 848/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 NPC1 3585/4885RAB9A 1243/4885SMN1; SMN2 848/4885

“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.