SCHEMBL15428162

SCHEMBL15428162

Cc1cc(C=O)c(Br)cc1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.47
LMNA P02545 2/20 0.43
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.35
ERN1 O75460 7/20 0.35
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
POLB P06746 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL6744644 0.94 PRKDC (0.48) PRKDCLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL709748 0.84 PRKDC (0.50) PRKDCLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL850513 0.83 PRKDC (0.38) PRKDCLMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL10018128 0.82 PRKDC (0.54) PRKDCLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL365835 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MAPTTSHRERN1
SCHEMBL5504159 0.78 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTTSHRERN1
SCHEMBL23832884 0.77 PRKDC (0.44) PRKDCLMNAALDH1A1ERN1
SCHEMBL15920680 0.77 KDM1A (0.43) PRKDCLMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL13264033 0.77 ALDH1A1 (0.37) PRKDCALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL1517367 0.75 PRKDC (0.38) PRKDCLMNAALDH1A1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872590-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-11-14 EP disclosed
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
EP-2920162-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-04-19 EP disclosed
US-9458105-B2 Inhibitors of Bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2016-10-04 US disclosed
US-20150291525-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2015-10-15 US disclosed
EP-2920162-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2015-09-23 EP disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
WO-2014076104-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2014-05-22 WO disclosed
WO-2014008982-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-01-16 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-20150263297-A1 Metal Complexes SOD1, AP1M1, AP3M1 PRKDC 3860/4885LMNA 4436/4885ALDH1A1 3721/4885
US-20150291525-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN PRKDC 81/4885LMNA 4582/4885ALDH1A1 3619/4885

“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.