SCHEMBL23593353

SCHEMBL23593353

C=C(CCC(C)C(=O)Nc1ccc(Cl)cc1)Nc1ccnc(C)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.44
▸ SORT1 Q99523 2/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GBA1 P04062 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ FPR2 P25090 1/20 0.37
▸ FFAR2 O15552 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL26783170 0.83 SORT1 (0.42) IDO1SORT1MAPTLMNAMEN1
SCHEMBL23593349 0.79 MAPT (0.41) IDO1SORT1MAPTLMNAMEN1
SCHEMBL26782964 0.79 MAPT (0.41) IDO1SORT1MAPTLMNAMEN1
SCHEMBL23593440 0.76 LMNA (0.39) IDO1MAPTLMNAALDH1A1MEN1
SCHEMBL24118306 0.71 IDO1 (0.48) IDO1L3MBTL1SMN1; SMN2RAB9A
SCHEMBL23572602 0.70 IDO1 (0.51) IDO1SORT1MAPT
SCHEMBL23593347 0.70 IDO1 (0.51) IDO1SORT1MAPT
SCHEMBL23593350 0.70 IDO1 (0.51) IDO1SORT1MAPT
SCHEMBL23593208 0.70 AR (0.52) L3MBTL1LMNAALDH1A1SMN1; SMN2RAB9A
SCHEMBL23592460 0.70 AR (0.40) SORT1L3MBTL1MAPTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352320-B2 Substituted [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors MERCK SHARP & DOHME CORP. (US) 2022-06-07 — — US disclosed
US-20210198190-A1 NOVEL SUBSTITUTED [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-07-01 — — 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 (2 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-20210198190-A1 NOVEL SUBSTITUTED [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, TPH1 IDO1 1/4885SORT1 4649/4885MAPK1 2544/4885
US-11352320-B2 Substituted [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, TPH1 IDO1 1/4885SORT1 4736/4885MAPK1 2384/4885

“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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