SCHEMBL4051789

SCHEMBL4051789

[c]1ccc(OCOc2cccc3cnccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.59
HTT P42858 1/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
NR3C1 P04150 3/20 0.39
CACNA2D1 P54289 5/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
THRB P10828 1/20 0.38
METAP2 P50579 1/20 0.37
GPBAR1 Q8TDU6 2/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36

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
SCHEMBL6538513 0.82 KCNA3 (0.54) KCNA3KDM4ECYP1A2CYP2C19ALDH1A1
SCHEMBL4058033 0.82 KCNA3 (0.53) KCNA3HTTLMNAKDM4ECYP1A2
SCHEMBL1545737 0.75 KCNA3 (0.71) KCNA3HTTLMNAKDM4ECYP1A2
SCHEMBL4060720 0.74 NR3C1 (0.39) HTTLMNAKDM4ENR3C1CACNA2D1
SCHEMBL14251166 0.74 KCNA3 (0.61) KCNA3HTTLMNAKDM4ECYP1A2
SCHEMBL11144866 0.74 KCNA3 (0.61) KCNA3HTTLMNAKDM4ECYP1A2
SCHEMBL94801 0.74 KCNA3 (0.61) KCNA3HTTLMNAKDM4ECYP1A2
Hydrochloric Acid SCHEMBL10361952 0.74 KCNA3 (0.69) KCNA3HTTLMNAKDM4ECYP1A2
SCHEMBL96699 0.72 KCNA3 (0.67) KCNA3HTTLMNAKDM4ECYP1A2
SCHEMBL10361892 0.72 KCNA3 (0.67) KCNA3HTTLMNAKDM4ECYP1A2

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 16 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
EP-1546109-A4 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME (TACE) BRISTOL MYERS SQUIBB CO (US) 2005-11-09 EP 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
EP-1546109-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME (TACE) Bristol-Myers Squibb Company (US) 2005-06-29 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
EP-1397137-A4 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2004-10-13 EP disclosed
WO-2004033632-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-22 WO disclosed
WO-2004032846-A2 TRIAZOLONE AND TRIAZOLETHIONE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-22 WO disclosed
EP-1397137-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-17 EP 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 (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 KCNA3 3587/4885HTT 481/4885LMNA 860/4885

“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.