SCHEMBL4056126

SCHEMBL4056126

Cc1cc2ccccc2n1Cc1ccc(C(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.74
HDAC1 Q13547 1/20 0.74
HDAC2 Q92769 1/20 0.74
HDAC8 Q9BY41 1/20 0.74
HDAC9 Q9UKV0 1/20 0.74
MEN1 O00255 3/20 0.60
MAPT P10636 3/20 0.60
KMT2A Q03164 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 2/20 0.60
USP2 O75604 1/20 0.60
POLB P06746 1/20 0.60
GAA P10253 1/20 0.60
THRB P10828 1/20 0.60
NR4A1 P22736 1/20 0.60
APEX1 P27695 1/20 0.60
APOBEC3A P31941 1/20 0.60
RECQL P46063 1/20 0.60
HIF1A Q16665 1/20 0.60

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
SCHEMBL27754841 0.86 HDAC1 (0.59) HDAC6HDAC1HDAC2HDAC8HDAC9
SCHEMBL11977114 0.86 HDAC1 (0.59) HDAC6HDAC1HDAC2HDAC8HDAC9
SCHEMBL12472344 0.85 HDAC6 (0.73) HDAC6HDAC1HDAC2HDAC8HDAC9
SCHEMBL15705724 0.85 HDAC6 (0.81) HDAC6HDAC1HDAC2HDAC8HDAC9
SCHEMBL12472553 0.85 HDAC6 (1.00) HDAC6HDAC1HDAC2HDAC8HDAC9
SCHEMBL6821030 0.85 HDAC1 (0.62) HDAC6HDAC1HDAC2HDAC8HDAC9
SCHEMBL30049411 0.85 HDAC1 (0.62) HDAC6HDAC1HDAC2HDAC8HDAC9
Hydrochloric Acid SCHEMBL29595575 0.84 HDAC1 (0.57) HDAC6HDAC1HDAC2HDAC8HDAC9
SCHEMBL12850688 0.84 HDAC6 (0.67) HDAC6HDAC1HDAC2HDAC8HDAC9
SCHEMBL2824971 0.82 HDAC6 (0.64) HDAC6HDAC1HDAC2HDAC8HDAC9

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
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
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
US-20040209874-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) SHEPPECK JAMES E (US) 2004-10-21 US disclosed
EP-1397137-A4 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2004-10-13 EP disclosed
EP-1397137-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-17 EP disclosed
US-20030130273-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-10 US disclosed
WO-2002096426-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 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 (3 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-20040209874-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM8 HDAC6 225/4885HDAC1 85/4885HDAC2 312/4885
US-20050171096-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM9 HDAC6 251/4885HDAC1 88/4885HDAC2 386/4885
US-20030130273-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM8 HDAC6 225/4885HDAC1 85/4885HDAC2 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.