SCHEMBL17306338

SCHEMBL17306338

CC(=O)[C@H](N)Cc1cn(C)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.56
▸ MAPT P10636 2/20 0.56
▸ RECQL P46063 1/20 0.56
▸ GPR84 Q9NQS5 1/20 0.54
▸ HTR2A P28223 1/20 0.53
▸ KDM4E B2RXH2 3/20 0.50
▸ HPGD P15428 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ LMNA P02545 1/20 0.47
▸ ARG1 P05089 1/20 0.47
▸ IDO1 P14902 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CMA1 P23946 1/20 0.46

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
SCHEMBL19846989 1.00 ALDH1A1 (0.56) ALDH1A1MAPTRECQLGPR84HTR2A
SCHEMBL14338216 1.00 ALDH1A1 (0.56) ALDH1A1MAPTRECQLGPR84HTR2A
1-Methyltryptophan SCHEMBL14202956 0.88 MAPT (0.71) ALDH1A1MAPTRECQLGPR84HTR2A
(L)-1-Methyltryptophan SCHEMBL19993 0.88 MAPT (0.71) ALDH1A1MAPTRECQLGPR84HTR2A
SCHEMBL19231794 0.88 SCN9A (0.57) ALDH1A1MAPTRECQLGPR84HTR2A
SCHEMBL24445574 0.88 SCN9A (0.57) ALDH1A1MAPTRECQLGPR84HTR2A
Indoximod SCHEMBL29349777 0.88 MAPT (0.71) ALDH1A1MAPTRECQLGPR84HTR2A
1-Methyltryptophan SCHEMBL19992 0.88 MAPT (0.71) ALDH1A1MAPTRECQLGPR84HTR2A
Indoximod SCHEMBL934800 0.88 MAPT (0.71) ALDH1A1MAPTRECQLGPR84HTR2A
Indoximod SCHEMBL23668055 0.87 MAPT (0.69) ALDH1A1MAPTRECQLGPR84HTR2A

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
WO-2022035843-A1 TOPOISOMERASE INHIBITORS NANOMEDICINE INNOVATION CENTER, LLC (US) 2022-02-17 — — WO disclosed
US-10040781-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-08-07 — — US disclosed
US-20170174713-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2017-06-22 — — US disclosed
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-04-07 — — US disclosed
US-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-03 — — 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 (4 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-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS ALDH1A1 4260/4885MAPT 2232/4885RECQL 2586/4885
US-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS ALDH1A1 4260/4885MAPT 2232/4885RECQL 2586/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS ALDH1A1 4260/4885MAPT 2232/4885RECQL 2586/4885
US-20170174713-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS ALDH1A1 4260/4885MAPT 2232/4885RECQL 2586/4885

“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.

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