SCHEMBL16627276

SCHEMBL16627276

CN(CC1CCOCC1)S(=O)(=O)c1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
TAS2R14 Q9NYV8 1/20 0.45
CNR2 P34972 2/20 0.44
NSD2 O96028 1/20 0.44
CYP19A1 P11511 2/20 0.40
RORC P51449 3/20 0.40
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
TSHR P16473 1/20 0.39
KDM1A O60341 3/20 0.39
NAMPT P43490 2/20 0.39
DPP4 P27487 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38

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 0.83 HTR2C (0.48) HTR2CHTR2BTAS2R14KDM1A
SCHEMBL16617023 0.79 KDM1A (0.49) HTR2CHTR2BTAS2R14CYP19A1RORC
SCHEMBL16627262 0.74 GPR119 (0.53) KDM1A
SCHEMBL21339855 0.74 CYP19A1 (0.51) TAS2R14CYP19A1RORCTSHR
SCHEMBL3128462 0.73 CYP19A1 (0.45) TAS2R14CYP19A1RORCTSHRKDM1A
SCHEMBL16627297 0.71 CYP19A1 (0.55) TAS2R14CYP19A1RORCTSHR
SCHEMBL14136361 0.71 TAS2R14 (0.53) TAS2R14CYP19A1PSEN1PSEN2APH1B
SCHEMBL15231519 0.71 CCR6 (0.46) HTR2CCNR2CYP19A1NAMPT
SCHEMBL29455234 0.70 HTR2C (0.60) HTR2CHTR2BTAS2R14CNR2PSEN1
SCHEMBL2224520 0.69 TSHR (0.60) CYP19A1TSHR

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 HTR2C 974/4885HTR2B 2427/4885TAS2R14 4168/4885

“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.