SCHEMBL2611216

SCHEMBL2611216

O=C(NO)c1ccc2ccn(CCCOc3cccc4c3CCC4)c(=O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.41
RXRA P19793 5/20 0.41
RXRB P28702 5/20 0.41
RXRG P48443 3/20 0.41
HDAC6 Q9UBN7 4/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
MCL1 Q07820 5/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC3 O15379 1/20 0.37
SSTR4 P31391 1/20 0.37
S1PR5 Q9H228 1/20 0.37

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
SCHEMBL2611343 0.95 HTR7 (0.44) HTR7RXRARXRBRXRGHDAC6
SCHEMBL2619238 0.83 TNF (0.43) HDAC6MCL1HDAC1HDAC3
SCHEMBL2611295 0.83 HDAC3 (0.44) RXRARXRBRXRGHDAC6HDAC1
SCHEMBL2118250 0.81 HDAC8 (0.45) HDAC6MCL1HDAC1HDAC3
SCHEMBL4550178 0.81 SMPD1 (0.47) HDAC6HDAC1HDAC3
SCHEMBL4550181 0.79 MCL1 (0.40) RXRARXRBRXRGHDAC6MRGPRX4
SCHEMBL2619419 0.78 ALDH1A1 (0.43) HDAC6HDAC1HDAC3
SCHEMBL10263307 0.78 PIN1 (0.41) HDAC6MCL1HDAC1HDAC3
SCHEMBL10262477 0.76 HDAC8 (0.46) HDAC6HDAC1HDAC3
SCHEMBL4550103 0.76 HDAC8 (0.46) HDAC6HDAC1HDAC3

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 HTR7 1171/4885RXRA 75/4885RXRB 47/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HTR7 1171/4885RXRA 75/4885RXRB 47/4885

“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.