SCHEMBL2118627

SCHEMBL2118627

CC(C)n1cnc2ccc(C(=O)NO)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.46
TSHR P16473 1/20 0.45
USP5 P45974 1/20 0.45
HDAC6 Q9UBN7 7/20 0.45
HDAC3 O15379 4/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC2 Q92769 4/20 0.45
HDAC8 Q9BY41 4/20 0.45
HDAC4 P56524 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
MMP13 P45452 2/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MCL1 Q07820 1/20 0.40
MAPK14 Q16539 2/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL2611382 0.90 HCAR3 (0.49) HCAR3TSHRUSP5HDAC6HDAC3
SCHEMBL2611203 0.86 TSHR (0.51) TSHRUSP5HDAC6HDAC3HDAC1
SCHEMBL2115434 0.84 TSHR (0.46) TSHRUSP5HDAC6HDAC3HDAC1
SCHEMBL2611248 0.83 TSHR (0.44) TSHRUSP5HDAC6HDAC3HDAC1
SCHEMBL2117431 0.82 KDM4E (0.56) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2619365 0.77 HDAC6 (0.49) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2117453 0.76 HDAC6 (0.41) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL4550076 0.75 HDAC6 (0.52) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL25022659 0.75 USP5 (0.44) HCAR3TSHRUSP5MCL1KDM4E
SCHEMBL2611259 0.73 HDAC6 (0.67) HDAC6HDAC3HDAC1HDAC2HDAC8

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-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
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
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 HCAR3 27/4885TSHR 972/4885USP5 1915/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HCAR3 27/4885TSHR 972/4885USP5 1915/4885

“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.