SCHEMBL16625299

SCHEMBL16625299

O=C(c1ccc(B(O)O)c(F)c1)N1CCN(CC2CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HTR2A P28223 3/20 0.45
DRD2 P14416 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
HRH3 Q9Y5N1 1/20 0.44
HSD11B1 P28845 1/20 0.43
GAA P10253 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
TNKS O95271 1/20 0.43
NAMPT P43490 1/20 0.43
MAPT P10636 1/20 0.42
BDKRB1 P46663 1/20 0.42
PARP1 P09874 3/20 0.42

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
SCHEMBL15286277 0.80 KMT2A (0.75) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL29953316 0.78 HPGD (0.58) MEN1KMT2AALDH1A1POLB
SCHEMBL12237807 0.77 ALDH1A1 (0.58) MEN1KMT2AHSD11B1GAAALDH1A1
SCHEMBL18753647 0.76 ALDH1A1 (0.49) MEN1KMT2AHRH3GAAALDH1A1
SCHEMBL9885999 0.76 HPGD (0.57) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL14145816 0.74 MGLL (0.56) HTR2ADRD2HTR2CHTR2BSIGMAR1
SCHEMBL24185576 0.74 HPGD (0.58) KMT2AHRH3HSD11B1GAAALDH1A1
SCHEMBL18753913 0.74 CA12 (0.54) HTR2ADRD2HTR2CHTR2BSIGMAR1
SCHEMBL10293610 0.74 ALDH1A1 (0.69) MEN1KMT2AHTR2ADRD2SIGMAR1
SCHEMBL21214474 0.74 ALDH1A1 (0.65) MEN1KMT2ADRD2HRH3GAA

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-2822656-B1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE CANCER RES INST ROYAL (GB) 2016-10-19 EP 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-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 MEN1 4679/4885KMT2A 1300/4885HTR2A 693/4885

“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.