SCHEMBL4060462

SCHEMBL4060462

O=C(O)c1ccc(COc2cccc3ncccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.55
RXRB P28702 7/20 0.55
RXRG P48443 6/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
PPIA P62937 1/20 0.52
F2 P00734 1/20 0.51
MRGPRX4 Q96LA9 2/20 0.50
FOLH1 Q04609 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
HDAC6 Q9UBN7 1/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
PTGER1 P34995 1/20 0.49
PTGER4 P35408 1/20 0.49
PTGER3 P43115 1/20 0.49
PTGER2 P43116 1/20 0.49

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
SCHEMBL31072687 0.90 RXRA (0.56) RXRARXRBRXRGHPGDSMN1; SMN2
SCHEMBL2799479 0.84 LTA4H (0.58) SMN1; SMN2PPIAF2MAPT
SCHEMBL4443949 0.80 SMN1; SMN2 (0.43) SMN1; SMN2F2ALDH1A1MAPTHDAC6
SCHEMBL4443953 0.80 NPC1 (0.43) SMN1; SMN2F2ALDH1A1HDAC6KDM4E
SCHEMBL15065675 0.78 RXRA (0.57) RXRARXRBRXRGHPGDSMN1; SMN2
SCHEMBL30078086 0.78 RXRA (0.57) RXRARXRBRXRGHPGDSMN1; SMN2
SCHEMBL4057714 0.77 LTA4H (0.43) SMN1; SMN2F2MAPTKDM4E
SCHEMBL367358 0.76 MRGPRX4 (0.54) RXRARXRBRXRGHPGDSMN1; SMN2
SCHEMBL2199929 0.76 MRGPRX4 (0.56) RXRARXRBRXRGHPGDSMN1; SMN2
Terephthalic Acid SCHEMBL1649598 0.76 MAPT (0.64) HPGDALDH1A1MAPTHDAC6KDM4E

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 RXRA 2503/4885RXRB 2170/4885RXRG 2745/4885
US-20050171096-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM9 RXRA 2295/4885RXRB 1772/4885RXRG 2361/4885
US-20030130273-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM8 RXRA 2503/4885RXRB 2170/4885RXRG 2745/4885

“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.