SCHEMBL789016

SCHEMBL789016

COc1ccc(Nc2nc(C(=O)N3CCc4ccccc4C3)cs2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 6/20 1.00
TRPC6 Q9Y210 6/20 1.00
L3MBTL1 Q9Y468 2/20 1.00
MDM2 Q00987 1/20 1.00
GAA P10253 4/20 0.79
MAPK1 P28482 1/20 0.79
ATM Q13315 1/20 0.79
MAPT P10636 4/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
HPGD P15428 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
AMY1A P0DUB6 1/20 0.51
POLB P06746 3/20 0.50

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
SCHEMBL806827 0.88 GAA (0.78) TRPC3TRPC6L3MBTL1MDM2GAA
SCHEMBL788828 0.82 TRPC3 (0.78) TRPC3TRPC6L3MBTL1MDM2GAA
SCHEMBL798510 0.81 TRPC3 (0.67) TRPC3TRPC6L3MBTL1MDM2GAA
SCHEMBL807013 0.80 TRPC3 (1.00) TRPC3TRPC6L3MBTL1MDM2GAA
SCHEMBL806828 0.78 TRPC3 (0.64) TRPC3TRPC6L3MBTL1MDM2GAA
SCHEMBL20600107 0.74 TRPC3 (0.65) TRPC3TRPC6L3MBTL1MDM2GAA
SCHEMBL525597 0.74 CSNK2A1 (0.65) TRPC3TRPC6L3MBTL1MDM2GAA
SCHEMBL27827048 0.74 AMY1A (0.67) TRPC3TRPC6L3MBTL1MDM2GAA
SCHEMBL30260147 0.74 HPGD (0.69) L3MBTL1MAPTNPC1RAB9AHPGD
SCHEMBL13302265 0.74 HPGD (0.69) L3MBTL1MAPTNPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012037349-A2 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO claimed
US-20230137816-A1 ADMINISTRATION OF CALCIUM CHANNEL TRPC6 INHIBITORS USING BALLOONS, STENTS OR OTHER MEDICAL DEVICES DEUTSCHES HERZZENTRUM MUENCHEN DES FREISTAATES BAYERN (DE) 2023-05-04 US disclosed
US-20230137816-A1 ADMINISTRATION OF CALCIUM CHANNEL TRPC6 INHIBITORS USING BALLOONS, STENTS OR OTHER MEDICAL DEVICES DEUTSCHES HERZZENTRUM MUENCHEN DES FREISTAATES BAYERN (DE) 2023-05-04 US disclosed
WO-2021160625-A1 ADMINISTRATION OF CALCIUM CHANNEL TRPC6 INHIBITORS USING BALLOONS, STENTS OR OTHER MEDICAL DEVICES KLINIKUM RECHTS DER ISAR (DE) 2021-08-19 WO disclosed
WO-2012037349-A2 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037351-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 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-20230137816-A1 ADMINISTRATION OF CALCIUM CHANNEL TRPC6 INHIBITORS USING BALLOONS, STENTS OR OTHER MEDICAL DEVICES TRPC6, TRPC1, ORAI1 TRPC3 6/4885TRPC6 1/4885L3MBTL1 4372/4885

“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.