SCHEMBL2619397

SCHEMBL2619397

O=C(NO)c1ccc2c(=O)[nH]c(COc3ccccc3Cl)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
HDAC8 Q9BY41 5/20 0.51
KDM4E B2RXH2 1/20 0.47
RECQL P46063 1/20 0.47
PDE5A O76074 1/20 0.45
HDAC6 Q9UBN7 2/20 0.43
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL2116314 0.88 RAB9A (0.49) RAB9ANPC1HDAC8KDM4ERECQL
SCHEMBL2611379 0.88 ROCK2 (0.53) RAB9ANPC1HDAC8KDM4ERECQL
SCHEMBL2115907 0.85 HDAC6 (0.46) RAB9ANPC1HDAC8KDM4ERECQL
SCHEMBL2619281 0.84 HSD17B10 (0.44) RAB9ANPC1HDAC8KDM4ERECQL
SCHEMBL2611378 0.84 RAB9A (0.44) RAB9ANPC1HDAC8KDM4ERECQL
SCHEMBL2619420 0.83 KDM4E (0.49) RAB9ANPC1HDAC8KDM4ERECQL
SCHEMBL2611393 0.79 RAB9A (0.49) RAB9ANPC1HDAC8KDM4ERECQL
SCHEMBL4550064 0.79 KDM4E (0.46) RAB9ANPC1HDAC8KDM4ERECQL
SCHEMBL2611274 0.79 HTT (0.51) RAB9AHDAC8KDM4ERECQLPDE5A
SCHEMBL2619265 0.77 KMT2A (0.47) RAB9AHDAC8KDM4ERECQLPDE5A

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 6 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

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 RAB9A 1243/4885NPC1 3585/4885HDAC8 14/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 RAB9A 1243/4885NPC1 3585/4885HDAC8 14/4885

“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.