SCHEMBL2428830

SCHEMBL2428830

Br/C(=C\c1ccccc1Br)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.42
EGFR P00533 1/20 0.42
BCHE P06276 1/20 0.38
RELA Q04206 1/20 0.35
IKBKB O14920 1/20 0.34
DYRK2 Q92630 1/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
LY96 Q9Y6Y9 1/20 0.33
GPR52 Q9Y2T5 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 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
SCHEMBL14860823 1.00 HSD11B1 (0.42) HSD11B1EGFRBCHERELAIKBKB
SCHEMBL14860824 1.00 HSD11B1 (0.42) HSD11B1EGFRBCHERELAIKBKB
SCHEMBL987337 0.81 HSD11B1 (0.44) HSD11B1EGFRBCHERELAIKBKB
SCHEMBL10410035 0.78 CES1 (0.46) TP53POLBKMT2AALDH1A1MEN1
SCHEMBL10410036 0.78 CES1 (0.46) TP53POLBKMT2AALDH1A1MEN1
SCHEMBL30941704 0.78 HSD11B1 (0.48) HSD11B1EGFRBCHEIKBKBDYRK2
SCHEMBL16420004 0.78 HSD11B1 (0.48) HSD11B1EGFRBCHEIKBKBDYRK2
SCHEMBL28580151 0.75 HSD11B1 (0.47) HSD11B1BCHERELAMAPTLY96
SCHEMBL28580153 0.75 HSD11B1 (0.43) HSD11B1EGFRBCHERELAIKBKB
SCHEMBL21198594 0.73 CES2 (0.48) HSD11B1BCHEMAPTLY96POLB

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-2542239-B1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME Université Joseph Fourier (FR) 2015-11-11 EP disclosed
US-8883763-B2 Use of isoquinolones for preparing drugs, novel isoquinolones and method for synthesising same UNIVERSITE JOSEPH FOURIER (FR) 2014-11-11 US disclosed
US-20130096083-A1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME UNIVERSITE JOSEPH FOURIER (FR) 2013-04-18 US disclosed
EP-2542239-A1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME Université Joseph Fourier (FR) 2013-01-09 EP disclosed
WO-2011107709-A1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME UNIVERSITE JOSEPH FOURIER (FR) 2011-09-09 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-20130096083-A1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME GNAQ, HCCS, SDHA HSD11B1 1810/4885EGFR 2553/4885BCHE 3205/4885

“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.