SCHEMBL14123712

SCHEMBL14123712

O=C(CBr)c1ccc(OCCN2CCN(C3CC3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 1/20 0.51
PSMB5 P28074 1/20 0.51
PSMB2 P49721 1/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HRH3 Q9Y5N1 7/20 0.49
DRD2 P14416 2/20 0.49
DRD3 P35462 2/20 0.49
LTA4H P09960 1/20 0.48
HRH2 P25021 6/20 0.47
HRH1 P35367 6/20 0.47
THRB P10828 2/20 0.46
THRA P10827 1/20 0.46
KCNA5 P22460 1/20 0.46
MAOB P27338 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45

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
Bromide SCHEMBL14054665 0.99 GAA (0.50) PSMB1PSMB5PSMB2GAASMN1; SMN2
SCHEMBL14054548 0.85 KDM4E (0.62) PSMB1PSMB5PSMB2GAAHRH3
SCHEMBL14123708 0.85 GAA (0.56) PSMB1PSMB5PSMB2GAASMN1; SMN2
SCHEMBL14123675 0.84 THRB (0.62) PSMB1PSMB5PSMB2GAASMN1; SMN2
Bromide SCHEMBL14054005 0.84 GAA (0.55) PSMB1PSMB5PSMB2GAASMN1; SMN2
Bromide SCHEMBL14054108 0.83 THRB (0.60) PSMB1PSMB5PSMB2GAASMN1; SMN2
SCHEMBL4687379 0.81 SMN1; SMN2 (0.76) PSMB1PSMB5GAASMN1; SMN2HRH3
Bromide SCHEMBL14054839 0.80 SMN1; SMN2 (0.74) PSMB1PSMB5GAASMN1; SMN2HRH3
SCHEMBL14123709 0.80 HRH3 (0.54) PSMB1PSMB5PSMB2GAASMN1; SMN2
Hydrochloric Acid SCHEMBL4461363 0.80 GAA (0.74) GAASMN1; SMN2HRH3THRBTHRA

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-20120302569-A1 PHENYL-THIAZOLYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 US disclosed
WO-2012162461-A1 PHENYL-THIAZOLYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 WO disclosed
US-20120302569-A1 PHENYL-THIAZOLYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 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-20120302569-A1 PHENYL-THIAZOLYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP9, MMP1, MMP3 PSMB1 1610/4885PSMB5 1220/4885PSMB2 1706/4885

“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.