SCHEMBL16625323

SCHEMBL16625323

CC(C(=O)N1CC(O)C1)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.46
TSHR P16473 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 1/20 0.45
GAA P10253 1/20 0.42
ALOX5 P09917 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HSD11B1 P28845 4/20 0.39
HCRTR2 O43614 2/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL3134160 0.80 HPGD (0.51) DPP4TSHRCYP1A2CYP2D6GAA
SCHEMBL13521122 0.80 HPGD (0.51) DPP4TSHRCYP1A2CYP2D6GAA
SCHEMBL5319760 0.76 CYP1A2 (0.53) DPP4TSHRCYP1A2CYP2D6POLB
SCHEMBL2390780 0.75 L3MBTL3 (0.50) DPP4TSHRCYP1A2CYP2D6GAA
SCHEMBL2916278 0.74 HSD11B1 (0.46) DPP4CYP2D6ALOX5POLBHSD11B1
SCHEMBL421564 0.73 PTGS2 (0.61) TSHRCYP1A2ALOX5ALDH1A1
SCHEMBL5149430 0.73 PTGS2 (0.61) TSHRCYP1A2ALOX5ALDH1A1
SCHEMBL3860971 0.73 PTGS2 (0.61) TSHRCYP1A2ALOX5ALDH1A1
SCHEMBL17776421 0.72 DPP4 (0.48) DPP4CYP2D6GAADPP7
SCHEMBL4484070 0.70 CYP1A2 (0.52) TSHRCYP1A2CYP2D6ALOX5POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193689-B2 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-11-24 US disclosed
US-9193689-B2 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-11-24 US disclosed
US-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-04-09 US disclosed
US-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-04-09 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-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE TNKS, TNKS2, PARP11 DPP4 2653/4885TSHR 4527/4885CYP1A2 1394/4885

“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.