SCHEMBL4057306

SCHEMBL4057306

Cc1cc2ccccc2n1Cc1cc[c]cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.49
MAPK1 P28482 1/20 0.49
CCR2 P41597 2/20 0.46
TP53 P04637 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
TSHR P16473 2/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43

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
SCHEMBL6821030 0.88 HDAC1 (0.62) HDAC1HDAC2HDAC8HDAC6HDAC9
SCHEMBL30049411 0.88 HDAC1 (0.62) HDAC1HDAC2HDAC8HDAC6HDAC9
SCHEMBL6086266 0.83 HDAC1 (0.62) HDAC1HDAC2HDAC8HDAC6HDAC9
SCHEMBL20853225 0.83 HDAC1 (0.62) HDAC1HDAC2HDAC8HDAC6HDAC9
SCHEMBL6087324 0.82 HDAC1 (0.60) HDAC1HDAC2HDAC8HDAC6HDAC9
SCHEMBL20853219 0.82 HDAC1 (0.57) HDAC1HDAC2HDAC8HDAC6HDAC9
SCHEMBL2824971 0.82 HDAC6 (0.64) HDAC1HDAC2HDAC8HDAC6HDAC9
SCHEMBL27204179 0.80 KDM4E (0.58) HDAC1HDAC2HDAC8HDAC6HDAC9
SCHEMBL4443963 0.78 HDAC1 (0.60) HDAC1HDAC2HDAC8HDAC6HDAC9
SCHEMBL4058341 0.78 MEN1 (0.46) HDAC1HDAC2HDAC8HDAC6HDAC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397137-B1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2009-10-14 EP disclosed
US-7482372-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
EP-1558581-A4 TRIAZOLONE AND TRIAZOLETHIONE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2007-07-25 EP disclosed
US-7074810-B2 Triazolone and triazolethione derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-11 US disclosed
US-7041693-B2 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-09 US disclosed
US-20050171096-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) SHEPPECK JAMES E (US) 2005-08-04 US disclosed
EP-1558581-A2 TRIAZOLONE AND TRIAZOLETHIONE DERIVATIVES Bristol-Myers Squibb Company (US) 2005-08-03 EP disclosed
US-6906053-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-14 US disclosed
US-6890915-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-05-10 US disclosed
WO-2004032846-A2 TRIAZOLONE AND TRIAZOLETHIONE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-22 WO 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 (1 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-20050171096-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM9 HDAC1 88/4885HDAC2 386/4885HDAC8 312/4885

“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.