SCHEMBL23593326

SCHEMBL23593326

C=C(CCNc1ncnc2ccc(F)cc12)C(C)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 5/20 0.56
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ HTT P42858 1/20 0.51
▸ USP10 Q14694 1/20 0.48
▸ PIK3C3 Q8NEB9 1/20 0.48
▸ USP13 Q92995 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ FYN P06241 2/20 0.43
▸ SRC P12931 2/20 0.43
▸ AURKA O14965 4/20 0.42
▸ NTRK1 P04629 2/20 0.42
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41

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
SCHEMBL23592427 0.90 IDO1 (0.56) IDO1HDAC1HDAC8HDAC6HTT
SCHEMBL26783342 0.80 HDAC1 (0.54) IDO1HDAC1HDAC8HDAC6HTT
SCHEMBL23592418 0.80 IDO1 (0.56) IDO1HDAC1HDAC8HDAC6HTT
SCHEMBL26783447 0.76 BRAF (0.37) IDO1HTTLMNAALDH1A1CYP1A2
SCHEMBL23593325 0.76 MAPT (0.38) HTTL3MBTL1LMNAKDM4ECYP1A2
SCHEMBL23593416 0.74 KDM4E (0.43) L3MBTL1KDM4E
SCHEMBL23593377 0.73 MAPT (0.42) HDAC1HDAC6L3MBTL1KDM4ECYP1A2
SCHEMBL24118254 0.72 FPR2 (0.48) HTTLMNAKDM4EALDH1A1CYP1A2
SCHEMBL23572605 0.72 IDO1 (1.00) IDO1USP10PIK3C3USP13LMNA
SCHEMBL29639831 0.72 IDO1 (1.00) IDO1USP10PIK3C3USP13LMNA

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-3810116-B1 NOVEL SUBSTITUTED [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-15 — — EP disclosed
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 1/4885HDAC1 127/4885HDAC8 910/4885
US-11352320-B2 Substituted [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, TPH1 IDO1 1/4885HDAC1 158/4885HDAC8 829/4885

“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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