SCHEMBL3972133

SCHEMBL3972133

[CH2]OC1CNc2ccccc2O1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.45
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CASR P41180 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
HTR1A P08908 3/20 0.35
PARP1 P09874 1/20 0.35
ALOX5 P09917 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3972135 0.82 NISCH (0.45) NISCHHPGDGAANPSR1CASR
SCHEMBL3966534 0.76 NISCH (0.49) NISCHHPGDGAANPSR1CASR
SCHEMBL29754356 0.73 NISCH (0.39) NISCHHPGDGAANPSR1CASR
SCHEMBL28265080 0.72 NISCH (0.49) NISCHHPGDGAANPSR1CASR
SCHEMBL214287 0.72 NISCH (0.49) NISCHHPGDGAANPSR1CASR
SCHEMBL517074 0.72 BRD4 (0.54) NISCHHPGDGAANPSR1CASR
SCHEMBL28265131 0.72 NISCH (0.49) NISCHHPGDGAANPSR1CASR
SCHEMBL15718086 0.72 NISCH (0.49) NISCHHPGDGAANPSR1CASR
SCHEMBL5165849 0.72 NISCH (0.49) NISCHHPGDGAANPSR1CASR
SCHEMBL19392968 0.72 BRD4 (0.54) NISCHHPGDGAANPSR1CASR

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 3 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

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 NISCH 4281/4885HPGD 478/4885GAA 62/4885

“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.