SCHEMBL3975484

SCHEMBL3975484

[CH2]Oc1cc(O)nc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
HPGD P15428 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MYC P01106 1/20 0.41
MAX P61244 1/20 0.41
SLC2A1 P11166 1/20 0.40
NCF1 P14598 3/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
POLB P06746 2/20 0.37
GPR3 P46089 1/20 0.37
MAOA P21397 2/20 0.36
GLA P06280 2/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL3975486 0.81 ALOX15 (0.63) ALOX15HPGDLMNASMN1; SMN2SLC2A1
SCHEMBL28606045 0.80 ALOX15 (0.61) ALOX15HPGDLMNASMN1; SMN2SLC2A1
SCHEMBL6229640 0.79 ALOX15 (0.47) ALOX15HPGDLMNASMN1; SMN2MYC
SCHEMBL3965450 0.78 KDM4E (0.47) ALOX15HPGDLMNASMN1; SMN2NCF1
SCHEMBL3975907 0.78 CYP1A2 (0.58) HPGDLMNASMN1; SMN2NCF1KDM4E
SCHEMBL3969705 0.76 SMN1; SMN2 (0.70) HPGDLMNASMN1; SMN2SLC2A1KDM4E
SCHEMBL17430082 0.76 STAT3 (0.51) LMNASMN1; SMN2NCF1HTTSLC6A2
SCHEMBL9442898 0.76 ALOX15 (0.46) ALOX15HPGDLMNASMN1; SMN2KDM4E
SCHEMBL3964960 0.75 HPGD (0.51) ALOX15HPGDLMNASMN1; SMN2SLC2A1
SCHEMBL3152061 0.75 KDM4E (0.40) HPGDLMNASMN1; SMN2MYCMAX

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
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-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-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

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 ALOX15 1789/4885HPGD 478/4885LMNA 435/4885

“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.