SCHEMBL23593208

SCHEMBL23593208

C=C(CCC(C)C(=O)Nc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ USP30 Q70CQ3 1/20 0.40
▸ RORC P51449 1/20 0.40
▸ PSEN1 P49768 3/20 0.40
▸ PSEN2 P49810 3/20 0.40
▸ APH1B Q8WW43 3/20 0.40
▸ NCSTN Q92542 3/20 0.40
▸ APH1A Q96BI3 3/20 0.40
▸ PSENEN Q9NZ42 3/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ RIOK2 Q9BVS4 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ CLK2 P49760 1/20 0.39

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
SCHEMBL23592459 0.85 RAB9A (0.46) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL23593440 0.84 LMNA (0.39) ARSMN1; SMN2NPC1TP53RAB9A
SCHEMBL23593246 0.84 AR (0.37) ARSMN1; SMN2NPC1TP53RAB9A
SCHEMBL23593396 0.83 SMARCA2 (0.43) —
SCHEMBL23593331 0.83 SMARCA2 (0.43) —
SCHEMBL23593330 0.81 SMN1; SMN2 (0.43) ARSMN1; SMN2ALDH1A1KDRP2RY1
SCHEMBL26783470 0.80 AR (0.47) ARSMN1; SMN2NPC1TP53RAB9A
SCHEMBL23593321 0.80 AR (0.38) ARSMN1; SMN2NPC1TP53RAB9A
SCHEMBL23592426 0.79 GRM5 (0.46) NPC1TP53RAB9ARORCCLK2
SCHEMBL23592460 0.78 AR (0.40) ARSMN1; SMN2NPC1TP53RAB9A

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 AR 3968/4885SMN1; SMN2 2037/4885NPC1 1152/4885
US-11352320-B2 Substituted [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, TPH1 AR 3354/4885SMN1; SMN2 2293/4885NPC1 1298/4885

“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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