SCHEMBL2611203

SCHEMBL2611203

CC(c1ccccc1)n1cnc2ccc(C(=O)NO)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
USP5 P45974 1/20 0.48
HDAC6 Q9UBN7 6/20 0.45
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GRK2 P25098 2/20 0.43
HDAC1 Q13547 10/20 0.42
HDAC3 O15379 4/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC4 P56524 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
IP6K1 Q92551 1/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC9 Q9UKV0 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
SCHEMBL2115434 0.89 TSHR (0.46) TSHRUSP5HDAC6HDAC1HDAC3
SCHEMBL2611248 0.88 TSHR (0.44) TSHRUSP5HDAC6KMT2AHDAC1
SCHEMBL2118627 0.86 HCAR3 (0.46) TSHRUSP5HDAC6KMT2AHDAC1
SCHEMBL1608560 0.85 MEN1 (0.57) HDAC6MEN1HPGDKMT2AHSD17B10
SCHEMBL2117431 0.79 KDM4E (0.56) HDAC6HPGDHSD17B10HDAC1HDAC3
SCHEMBL9219187 0.77 USP5 (0.67) TSHRUSP5MEN1HPGDKMT2A
SCHEMBL2611382 0.76 HCAR3 (0.49) TSHRUSP5HDAC6KMT2AHDAC1
SCHEMBL2117138 0.75 HDAC6 (0.42) HDAC6KMT2AHDAC1HDAC3HDAC2
SCHEMBL10268000 0.72 SLC2A1 (0.46) HDAC6GRK2HDAC1HDAC3HDAC2
SCHEMBL6099490 0.72 TSHR (0.73) TSHRUSP5MEN1KMT2ARAB9A

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 9 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-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

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 TSHR 972/4885USP5 1915/4885HDAC6 1/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 TSHR 972/4885USP5 1915/4885HDAC6 1/4885

“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.