SCHEMBL15810293

SCHEMBL15810293

N#Cc1ccc(-c2ccc(OCCCBr)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.58
HRH3 Q9Y5N1 12/20 0.58
HRH2 P25021 11/20 0.58
HRH1 P35367 11/20 0.58
MMP3 P08254 5/20 0.55
MMP1 P03956 1/20 0.54
MMP9 P14780 1/20 0.54
MMP13 P45452 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54

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
SCHEMBL9167569 0.95 MMP3 (0.57) MMP2HRH3HRH2HRH1MMP3
SCHEMBL1428967 0.94 HRH3 (0.53) MMP2HRH3HRH2HRH1MMP3
SCHEMBL17749614 0.93 HDAC1 (0.58) MMP2HRH3HRH2HRH1MMP3
SCHEMBL2201281 0.93 HDAC1 (0.58) MMP2HRH3HRH2HRH1MMP3
SCHEMBL9227146 0.93 HDAC1 (0.58) MMP2HRH3HRH2HRH1MMP3
SCHEMBL5097451 0.93 HDAC1 (0.58) MMP2HRH3HRH2HRH1MMP3
SCHEMBL6709272 0.93 HDAC1 (0.58) MMP2HRH3HRH2HRH1MMP3
SCHEMBL9227809 0.93 HDAC1 (0.58) MMP2HRH3HRH2HRH1MMP3
SCHEMBL9224982 0.93 HDAC1 (0.58) MMP2HRH3HRH2HRH1MMP3
SCHEMBL5096630 0.93 HDAC1 (0.58) MMP2HRH3HRH2HRH1MMP3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2928985-B1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-12-21 EP disclosed
US-20160229795-A1 COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-08-11 US disclosed
US-20150315470-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-11-05 US disclosed
WO-2015043713-A1 COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-04-02 WO disclosed
WO-2014090372-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2014-06-19 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 (2 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-20160229795-A1 COMPOUNDS AND MESOGENIC MEDIA MTX1, NEFM, MTX2 MMP2 185/4885HRH3 3865/4885HRH2 3986/4885
US-20150315470-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 MMP2 1154/4885HRH3 2096/4885HRH2 3001/4885

“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.