SCHEMBL17801624

SCHEMBL17801624

C=CCNC(=O)C(C)(CC)CC=C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 5/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
PKM P14618 1/20 0.33
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
RAB9A P51151 1/20 0.32
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL19412558 0.81 SIGMAR1 (0.33)
SCHEMBL1104182 0.79 RIPK1 (0.44) FAAHSMN1; SMN2TSHRMAPTKMT2A
SCHEMBL17801557 0.79 TSHR (0.42) FAAHSMN1; SMN2TSHRMAPTKMT2A
SCHEMBL275055 0.79 TSHR (0.42) FAAHSMN1; SMN2TSHRMAPTKMT2A
SCHEMBL10818200 0.76 TSHR (0.46) FAAHSMN1; SMN2TSHRMAPTKMT2A
SCHEMBL26434018 0.76 TSHR (0.39) FAAHSMN1; SMN2TSHRMAPTKMT2A
SCHEMBL1520813 0.74 FAAH (0.40) FAAHSMN1; SMN2TSHRMAPTKMT2A
SCHEMBL1520811 0.74 FAAH (0.40) FAAHSMN1; SMN2TSHRMAPTKMT2A
SCHEMBL7181888 0.74 ALDH1A1 (0.32) TSHRALDH1A1
SCHEMBL1717016 0.74 TSHR (0.41) TSHRMAPTKMT2AALDH1A1HTT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227279-B1 1-OXO-1,2-DIHYDROISOQUINOLIN-7-YL-(5-SUBSTITUTED-THIOPHEN-2-YL)-SULFONAMIDE COMPOUNDS, FORMULATIONS CONTAINING THOSE COMPOUNDS, AND THEIR USE AS AICARFT INHIBITORS IN THE TREATMENT OF CANCERS LILLY CO ELI (US) 2019-02-13 EP disclosed
EP-3227279-B1 1-OXO-1,2-DIHYDROISOQUINOLIN-7-YL-(5-SUBSTITUTED-THIOPHEN-2-YL)-SULFONAMIDE COMPOUNDS, FORMULATIONS CONTAINING THOSE COMPOUNDS, AND THEIR USE AS AICARFT INHIBITORS IN THE TREATMENT OF CANCERS LILLY CO ELI (US) 2019-02-13 EP disclosed
EP-3227279-A1 1 -OXO-1,2-DIHYDROISOQUINOLIN-7-YL-(5-SUBSTITUTED-THIOPHEN-2-YL)-SULFONAMIDE COMPOUNDS, FORMULATIONS CONTAINING THOSE COMPOUNDS, AND THEIR USE AS AICARFT INHIBITORS IN THE TREATMENT OF CANCERS Eli Lilly and Company (US) 2017-10-11 EP disclosed
US-9776992-B2 1-oxo-1,2-dihydroisoquinolin-7-yl-(5-substituted-thiophen-2-yl)-sulfonamide compounds, formulations containing those compounds, and their use as AICARFT inhibitors in the treatment of cancers ELI LILLY AND COMPANY (US) 2017-10-03 US disclosed
US-9776992-B2 1-oxo-1,2-dihydroisoquinolin-7-yl-(5-substituted-thiophen-2-yl)-sulfonamide compounds, formulations containing those compounds, and their use as AICARFT inhibitors in the treatment of cancers ELI LILLY AND COMPANY (US) 2017-10-03 US disclosed
US-20170233378-A1 1-OXO-1,2-DIHYDROISOQUINOLIN-7-YL-(5-SUBSTITUTED-THIOPHEN-2-YL)-SULFONAMIDE COMPOUNDS, FORMULATIONS CONTAINING THOSE COMPOUNDS, AND THEIR USE AS AICARFT INHIBITORS IN THE TREATMENT OF CANCERS ELI LILLY AND COMPANY (US) 2017-08-17 US disclosed
US-20170233378-A1 1-OXO-1,2-DIHYDROISOQUINOLIN-7-YL-(5-SUBSTITUTED-THIOPHEN-2-YL)-SULFONAMIDE COMPOUNDS, FORMULATIONS CONTAINING THOSE COMPOUNDS, AND THEIR USE AS AICARFT INHIBITORS IN THE TREATMENT OF CANCERS ELI LILLY AND COMPANY (US) 2017-08-17 US disclosed
WO-2016089670-A1 1 -OXO-1,2-DIHYDROISOQUINOLIN-7-YL-(5-SUBSTITUTED-THIOPHEN-2-YL)-SULFONAMIDE COMPOUNDS, FORMULATIONS CONTAINING THOSE COMPOUNDS, AND THEIR USE AS AICARFT INHIBITORS IN THE TREATMENT OF CANCERS ELI LILLY AND COMPANY (US) 2016-06-09 WO disclosed
WO-2016089670-A1 1 -OXO-1,2-DIHYDROISOQUINOLIN-7-YL-(5-SUBSTITUTED-THIOPHEN-2-YL)-SULFONAMIDE COMPOUNDS, FORMULATIONS CONTAINING THOSE COMPOUNDS, AND THEIR USE AS AICARFT INHIBITORS IN THE TREATMENT OF CANCERS ELI LILLY AND COMPANY (US) 2016-06-09 WO 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-20170233378-A1 1-OXO-1,2-DIHYDROISOQUINOLIN-7-YL-(5-SUBSTITUTED-THIOPHEN-2-YL)-SULFONAMIDE COMPOUNDS, FORMULATIONS CONTAINING THOSE COMPOUNDS, AND THEIR USE AS AICARFT INHIBITORS IN THE TREATMENT OF CANCERS CDKN1A, API5, NUTF2 FAAH 1778/4885SMN1; SMN2 2123/4885TSHR 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.