SCHEMBL23593377

SCHEMBL23593377

C=C(CCNc1nccc2cccnc12)C(C)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MECP2 P51608 1/20 0.36

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
SCHEMBL23593416 0.83 KDM4E (0.43) MAPTMEN1KMT2AL3MBTL1KDM4E
SCHEMBL26783382 0.83 MAPT (0.43) MAPTMEN1KMT2AL3MBTL1KDM4E
SCHEMBL23593325 0.79 MAPT (0.38) MAPTMEN1KMT2AL3MBTL1KDM4E
SCHEMBL23592427 0.75 IDO1 (0.56) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL24118290 0.75 RAB9A (0.39) MAPTMEN1KMT2AL3MBTL1KDM4E
SCHEMBL26783549 0.74 GRM5 (0.42) MEN1KMT2AGAARAB9ANPC1
SCHEMBL23593322 0.73 POLB (0.48) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL23593326 0.73 IDO1 (0.56) L3MBTL1KDM4EHDAC1HDAC6CYP1A2
SCHEMBL26783470 0.73 AR (0.47) L3MBTL1GAARAB9ANPC1SMN1; SMN2
SCHEMBL23572579 0.72 IDO1 (0.60) MAPTRAB9ANPC1CASP3SENP8

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 MAPT 1889/4885MEN1 1464/4885KMT2A 1424/4885
US-11352320-B2 Substituted [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, TPH1 MAPT 1778/4885MEN1 1529/4885KMT2A 1295/4885

“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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