SCHEMBL23593440

SCHEMBL23593440

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.39
▸ IDO1 P14902 5/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KLK7 P49862 1/20 0.35
▸ AR P10275 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL23593208 0.84 AR (0.52) LMNAALDH1A1NPC1TP53RAB9A
SCHEMBL23592426 0.83 GRM5 (0.46) MAPTRECQLCYP2C9MEN1CYP1A2
SCHEMBL23592460 0.82 AR (0.40) LMNAKDM4EMAPTRECQLCYP2C9
SCHEMBL23592459 0.81 RAB9A (0.46) LMNAIDO1KDM4EALDH1A1MAPT
SCHEMBL23593331 0.81 SMARCA2 (0.43) —
SCHEMBL23593396 0.81 SMARCA2 (0.43) —
SCHEMBL23593246 0.80 AR (0.37) LMNAIDO1ALDH1A1MAPTRECQL
SCHEMBL23593321 0.80 AR (0.38) LMNAKDM4EMAPTRECQLCYP2C9
SCHEMBL26783543 0.77 KMT2A (0.38) LMNAIDO1ALDH1A1MAPTRECQL
SCHEMBL23593353 0.76 IDO1 (0.44) LMNAIDO1KDM4EALDH1A1MAPT

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 LMNA 4532/4885IDO1 1/4885KDM4E 1609/4885
US-11352320-B2 Substituted [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, TPH1 LMNA 4368/4885IDO1 1/4885KDM4E 1508/4885

“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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