SCHEMBL16627264

SCHEMBL16627264

CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.63
POLB P06746 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.61
USP2 O75604 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
GAA P10253 1/20 0.61
TSHR P16473 2/20 0.59
PKM P14618 1/20 0.59
PKLR P30613 1/20 0.59
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
HTT P42858 1/20 0.58
LMNA P02545 1/20 0.58
APOBEC3A P31941 2/20 0.54
APOBEC3G Q9HC16 2/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL13271173 0.84 USP2 (0.62) POLBUSP2L3MBTL1GAATSHR
SCHEMBL15904301 0.83 ATM (0.63) ATMPOLBSMN1; SMN2USP2L3MBTL1
SCHEMBL3633792 0.83 USP2 (0.71) POLBUSP2L3MBTL1GAATSHR
SCHEMBL18711912 0.81 KMT2A (0.58) SMN1; SMN2L3MBTL1GAAPKMPKLR
SCHEMBL2957007 0.81 GAA (0.56) POLBSMN1; SMN2USP2L3MBTL1GAA
SCHEMBL15231766 0.81 MAPT (0.65) SMN1; SMN2USP2L3MBTL1GAAPKM
SCHEMBL13993549 0.81 MEN1 (0.69) L3MBTL1GAAPKMPKLRKMT2A
SCHEMBL12656054 0.80 KMT2A (0.63) SMN1; SMN2USP2L3MBTL1GAAPKM
Hydrochloric Acid SCHEMBL3246796 0.80 MAPT (0.63) SMN1; SMN2USP2L3MBTL1GAAPKM
SCHEMBL5338240 0.80 POLB (0.67) POLBSMN1; SMN2L3MBTL1GAAPKM

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 ATM 424/4885POLB 1000/4885SMN1; SMN2 3211/4885

“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.