SCHEMBL4053941

SCHEMBL4053941

FC(F)(F)c1nc2ccccc2n1COc1cc[c]cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.48
CYP2C19 P33261 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 1/20 0.48
LMNA P02545 3/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
APEX1 P27695 1/20 0.46
TP53 P04637 3/20 0.45
CYP3A4 P08684 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4056354 0.81 CYP2C9 (0.52) CYP2C9CYP2C19CYP1A2CYP2D6LMNA
SCHEMBL4050254 0.80 LMNA (0.57) LMNATSHRALDH1A1MAPTTP53
SCHEMBL4058570 0.76 LMNA (0.52) LMNAALDH1A1MAPTTP53KDM4E
SCHEMBL11485255 0.73 ALDH1A1 (0.40) CYP2C9CYP2C19CYP1A2CYP2D6LMNA
SCHEMBL3968510 0.72 CYP2C9 (0.62) CYP2C9CYP2C19CYP1A2CYP2D6LMNA
SCHEMBL12203802 0.72 LMNA (0.59) CYP2C9CYP2C19CYP1A2CYP2D6LMNA
SCHEMBL12968163 0.70 CYP2C9 (0.59) CYP2C9CYP2C19CYP1A2CYP2D6LMNA
SCHEMBL18509285 0.70 CYP2C9 (0.56) CYP2C9CYP2C19CYP1A2CYP2D6LMNA
SCHEMBL13508742 0.70 NOD1 (0.62) CYP2C9CYP2C19CYP1A2CYP2D6LMNA
SCHEMBL24041833 0.69 CYP2C19 (0.52) CYP2C9CYP2C19CYP1A2CYP2D6LMNA

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 6 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-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
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

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 CYP2C9 1086/4885CYP2C19 1310/4885CYP1A2 1309/4885

“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.