SCHEMBL14123719

SCHEMBL14123719

O=C(CBr)c1ccc(N2CCNCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.69
ALDH1A1 P00352 3/20 0.59
USP2 O75604 1/20 0.59
TSHR P16473 1/20 0.59
HSD17B10 Q99714 1/20 0.59
MAOB P27338 2/20 0.49
ADRB1 P08588 4/20 0.49
HTR3E A5X5Y0 2/20 0.49
HTR3B O95264 2/20 0.49
HTR3A P46098 2/20 0.49
HTR3D Q70Z44 2/20 0.49
HTR3C Q8WXA8 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
PTPN1 P18031 2/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46
ACVR1 Q04771 1/20 0.45
KDR P35968 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 SCHEMBL8084816 0.98 GSK3B (0.67) GSK3BALDH1A1USP2TSHRHSD17B10
Bromide SCHEMBL14054623 0.98 GSK3B (0.67) GSK3BALDH1A1USP2TSHRHSD17B10
Phenylpiperazine SCHEMBL27959885 0.89 ALDH1A1 (0.63) GSK3BALDH1A1USP2TSHRHSD17B10
SCHEMBL25803069 0.86 ALDH1A1 (0.63) GSK3BALDH1A1USP2TSHRHSD17B10
SCHEMBL627822 0.84 GSK3B (0.75) GSK3BALDH1A1USP2TSHRHSD17B10
SCHEMBL8551200 0.83 ALDH1A1 (0.59) GSK3BALDH1A1USP2TSHRHSD17B10
SCHEMBL2970722 0.83 GSK3B (0.73) GSK3BALDH1A1USP2TSHRHSD17B10
SCHEMBL541208 0.81 GSK3B (1.00) GSK3BALDH1A1HSD17B10MAOBPTPN1
SCHEMBL25803085 0.81 ALDH1A1 (0.74) ALDH1A1USP2TSHRHSD17B10ADRB1
SCHEMBL3342329 0.81 ALDH1A1 (0.56) GSK3BALDH1A1USP2TSHRHSD17B10

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
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

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 GSK3B 1829/4885ALDH1A1 775/4885USP2 2261/4885

“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.