SCHEMBL3968932

SCHEMBL3968932

[CH2]On1cnc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
HTT P42858 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.44
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
POLB P06746 1/20 0.43
TNF P01375 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
FGFR1 P11362 2/20 0.42
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
STAT6 P42226 1/20 0.41
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 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
SCHEMBL1293053 0.83 TDP1 (0.52) TDP1HTTSMN1; SMN2LMNACYP11B1
SCHEMBL491202 0.79 HTT (0.50) TDP1HTTSMN1; SMN2LMNACYP11B1
SCHEMBL28860663 0.79 TDP1 (0.48) TDP1HTTSMN1; SMN2LMNACYP11B1
SCHEMBL4180919 0.78 TDP1 (0.47) TDP1HTTSMN1; SMN2LMNACYP11B1
SCHEMBL24054627 0.76 HTT (0.47) TDP1HTTSMN1; SMN2LMNACYP11B1
SCHEMBL9529264 0.76 TDP1 (0.46) TDP1HTTSMN1; SMN2LMNACYP11B1
SCHEMBL160156 0.76 TDP1 (0.46) TDP1HTTSMN1; SMN2LMNACYP11B1
SCHEMBL9446056 0.75 TDP1 (0.48) TDP1HTTSMN1; SMN2LMNACYP11B1
SCHEMBL8901472 0.75 EGLN3 (0.46) TDP1HTTSMN1; SMN2FGFR1KMT2A
SCHEMBL8003415 0.75 TDP1 (0.44) TDP1HTTSMN1; SMN2LMNACYP11B1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 US disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US disclosed
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 US disclosed
WO-2003053941-A2 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO disclosed
WO-2003040103-A1 β-SULFONE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-α CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2003-05-15 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-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 TDP1 1041/4885HTT 4656/4885SMN1; SMN2 3011/4885

“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.