SCHEMBL4050645

SCHEMBL4050645

O=C(O)c1ccc(Cc2c3c(nc4ccccc24)COC3)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 5/20 0.60
PDE4B Q07343 1/20 0.43
ATM Q13315 1/20 0.41
CYP1A2 P05177 3/20 0.39
HPGD P15428 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2C9 P11712 1/20 0.39
GFER P55789 1/20 0.39
KDM4E B2RXH2 3/20 0.39
TSHR P16473 2/20 0.39
SRD5A2 P31213 1/20 0.39
GLA P06280 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
MEN1 O00255 2/20 0.38

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
SCHEMBL4443924 0.84 ADAM17 (0.52) ADAM17PDE4BCYP1A2HPGDCYP2C19
SCHEMBL4443920 0.83 ADAM17 (0.51) ADAM17PDE4BCYP1A2HPGDCYP2C19
SCHEMBL4059612 0.81 ADAM17 (0.48) ADAM17PDE4BCYP1A2HPGDCYP2C19
SCHEMBL6791805 0.79 ADAM17 (0.86) ADAM17
SCHEMBL6786468 0.77 ADAM17 (1.00) ADAM17
SCHEMBL6493237 0.73 PDE10A (0.54) ADAM17ATMKDM4ETSHRSRD5A2
SCHEMBL6211757 0.72 MEN1 (0.50) ADAM17ATMKDM4ETSHRSRD5A2
SCHEMBL6216951 0.70 DHFR (0.49) ADAM17KDM4ETSHRSRD5A2GLA
SCHEMBL6629146 0.69 KDM4E (0.44) ATMCYP1A2HPGDCYP2C19CYP2C9
SCHEMBL6262668 0.69 SRD5A2 (0.44) ATMKDM4ETSHRSRD5A2GLA

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 7 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
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

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 ADAM17 1/4885PDE4B 1666/4885ATM 2590/4885
US-20050171096-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM9 ADAM17 1/4885PDE4B 1531/4885ATM 2367/4885
US-20030130273-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM8 ADAM17 1/4885PDE4B 1666/4885ATM 2590/4885

“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.