SCHEMBL14123713

SCHEMBL14123713

O=C(CBr)c1ccc(CN2CCN(C3CC3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.59
MBTD1 Q05BQ5 1/20 0.54
L3MBTL3 Q96JM7 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
TRPV6 Q9H1D0 3/20 0.46
CCR5 P51681 1/20 0.46
PARP1 P09874 1/20 0.45
PARP2 Q9UGN5 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 SCHEMBL14053619 0.99 HRH3 (0.57) HRH3MBTD1L3MBTL3L3MBTL1ALDH1A1
SCHEMBL14054531 0.82 HRH3 (0.61) HRH3MBTD1L3MBTL3L3MBTL1ALDH1A1
SCHEMBL14123714 0.82 HRH3 (0.58) HRH3MBTD1L3MBTL3L3MBTL1
Bromide SCHEMBL14054045 0.81 HRH3 (0.56) HRH3MBTD1L3MBTL3L3MBTL1
SCHEMBL14123716 0.81 HDAC6 (0.64) HRH3ALDH1A1CYP3A4CYP2D6MAPT
Bromide SCHEMBL14054339 0.79 HDAC6 (0.62) HRH3ALDH1A1CYP3A4CYP2D6MAPT
SCHEMBL14058819 0.78 GSK3B (0.65) HRH3ALDH1A1KDM4EKMT2A
SCHEMBL14123712 0.78 PSMB1 (0.51) HRH3ALDH1A1CYP2D6
SCHEMBL14123652 0.77 S1PR5 (0.51) HRH3
SCHEMBL14123710 0.77 HRH3 (0.61) HRH3ALDH1A1CYP3A4CYP2D6MAPT

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 HRH3 825/4885MBTD1 2437/4885L3MBTL3 1053/4885

“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.