SCHEMBL16625196

SCHEMBL16625196

O=c1[nH]c(-c2ccc(OCCN3CCCC3)cc2)cc2c(Cl)cccc12

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNKS O95271 5/20 0.52
LTA4H P09960 4/20 0.49
HRH3 Q9Y5N1 3/20 0.48
PARP1 P09874 1/20 0.47
MCHR1 Q99705 1/20 0.46
ACHE P22303 2/20 0.46
DRD1 P21728 1/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
PTGS2 P35354 1/20 0.45
ITGA4 P13612 1/20 0.45

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
SCHEMBL16625193 0.87 TNKS (0.67) TNKSLTA4HHRH3PARP1DRD2
SCHEMBL16625192 0.79 TNKS (0.78) TNKSPARP1ACHEITGA4
SCHEMBL16625194 0.78 TNKS (0.70) TNKSPARP1ACHE
SCHEMBL16625114 0.75 TNKS (0.80) TNKSPARP1
SCHEMBL16625152 0.73 TNKS (0.78) TNKSPARP1
SCHEMBL5074089 0.73 PARP1 (0.63) LTA4HHRH3PARP1ACHEDRD2
SCHEMBL5077311 0.72 PARP1 (0.65) LTA4HHRH3PARP1ACHE
SCHEMBL23259787 0.72 HRH3 (0.71) HRH3
SCHEMBL29712365 0.72 HRH3 (0.71) HRH3
SCHEMBL6534972 0.71 HRH3 (0.86) LTA4HHRH3ACHEDRD2DRD3

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 TNKS 1/4885LTA4H 4239/4885HRH3 3405/4885

“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.