SCHEMBL16617022

SCHEMBL16617022

N#Cc1ccc(S(=O)(=O)CNCC2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
THRB P10828 1/20 0.42
EPHX2 P34913 1/20 0.42
KDM1A O60341 5/20 0.40
USP30 Q70CQ3 1/20 0.40
CHRM4 P08173 2/20 0.38
CCR6 P51684 1/20 0.38
CCR3 P51677 1/20 0.38
CYP19A1 P11511 1/20 0.37
MAPT P10636 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
SCHEMBL6761794 0.80 CXCR4 (0.47) SIGMAR1KDM1AUSP30
SCHEMBL1121623 0.76 MAPT (0.43) KDM1AUSP30CYP19A1MAPT
SCHEMBL16632052 0.76 HTR2A (0.49) THRBEPHX2KDM1ACCR6
SCHEMBL16617023 0.75 KDM1A (0.49) KDM1ACYP19A1
SCHEMBL3090147 0.73 SIGMAR1 (0.62) SIGMAR1
SCHEMBL19994624 0.72 MAOB (0.60) SIGMAR1KDM1ACHRM4
SCHEMBL12488646 0.69 SCD5 (0.53) USP30
SCHEMBL15273405 0.69 KDM1A (0.44) THRBEPHX2KDM1A
SCHEMBL15229274 0.69 TGFBR1 (0.61)
SCHEMBL6011358 0.69 GPR119 (0.43)

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 3 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-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 SIGMAR1 4456/4885THRB 3247/4885EPHX2 4246/4885

“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.