SCHEMBL3969705

SCHEMBL3969705

[CH2]Oc1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.70
LMNA P02545 4/20 0.70
HPGD P15428 3/20 0.70
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 1/20 0.58
HTT P42858 1/20 0.58
ACHE P22303 1/20 0.56
PDE10A Q9Y233 1/20 0.51
ACACA Q13085 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ACP1 P24666 1/20 0.50
DHODH Q02127 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
SLC2A1 P11166 1/20 0.45
CYP2C9 P11712 1/20 0.44

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
SCHEMBL10199984 0.82 SMN1; SMN2 (0.70) SMN1; SMN2LMNAHPGDKDM4EALDH1A1
SCHEMBL955714 0.82 SMN1; SMN2 (1.00) SMN1; SMN2LMNAHPGDKDM4EALDH1A1
SCHEMBL2793755 0.79 SMN1; SMN2 (0.60) SMN1; SMN2LMNAHPGDKDM4EALDH1A1
SCHEMBL31529344 0.78 LMNA (0.69) SMN1; SMN2LMNAHPGDKDM4EALDH1A1
SCHEMBL4204786 0.78 LMNA (0.64) SMN1; SMN2LMNAHPGDKDM4EALDH1A1
SCHEMBL3975484 0.76 ALOX15 (0.42) SMN1; SMN2LMNAHPGDKDM4EALDH1A1
SCHEMBL3965450 0.76 KDM4E (0.47) SMN1; SMN2LMNAHPGDKDM4EALDH1A1
SCHEMBL3975907 0.76 CYP1A2 (0.58) SMN1; SMN2LMNAHPGDKDM4EALDH1A1
SCHEMBL28041155 0.76 LMNA (0.65) SMN1; SMN2LMNAHPGDKDM4EALDH1A1
SCHEMBL3967708 0.76 ACHE (0.61) SMN1; SMN2LMNAHPGDKDM4EALDH1A1

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
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
US-6936620-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL MYERS SQUIBB COMPANY (US) 2005-08-30 US disclosed
WO-2003053940-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-$G(A) CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO 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 SMN1; SMN2 3011/4885LMNA 435/4885HPGD 478/4885

“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.