SCHEMBL16617023

SCHEMBL16617023

CN(CC1CCN(C(=O)O)CC1)S(=O)(=O)c1ccc(C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.49
TAS2R14 Q9NYV8 1/20 0.48
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
CYP19A1 P11511 1/20 0.41
TSHR P16473 2/20 0.41
RORC P51449 1/20 0.40
STAT3 P40763 1/20 0.40
STAT5B P51692 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
LIMK2 P53671 1/20 0.39

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
SCHEMBL16627263 0.85 HTR2C (0.48) KDM1ATAS2R14HTR2CHTR2B
SCHEMBL16627262 0.85 GPR119 (0.53) KDM1ALIMK2
SCHEMBL18446039 0.84 KMT2A (0.51) TAS2R14HTR2CHTR2BTSHRPOLB
SCHEMBL16627276 0.79 HTR2C (0.46) KDM1ATAS2R14HTR2CHTR2BCYP19A1
SCHEMBL27989016 0.79 LIMK2 (0.50) LIMK2
SCHEMBL16617022 0.75 SIGMAR1 (0.44) KDM1ACYP19A1
SCHEMBL16632052 0.75 HTR2A (0.49) KDM1AHTR2C
SCHEMBL3090147 0.72 SIGMAR1 (0.62)
SCHEMBL19994624 0.71 MAOB (0.60) KDM1A
SCHEMBL15273405 0.71 KDM1A (0.44) KDM1ARORC

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
CN-104302358-B The assimilation compound of isoquinolin 1 and their therapeutical uses of 3 aryl 5 substitution 癌症研究协会:皇家癌症医院 2017-12-05 CN disclosed
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
CN-104302358-A 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use CANCER RES INST ROYAL 2015-01-21 CN 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 KDM1A 931/4885TAS2R14 4168/4885HTR2C 974/4885

“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.