SCHEMBL23580331

SCHEMBL23580331

O=C(c1ncc(N=C(c2ccccc2)c2ccccc2)cc1C(F)F)N1CCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL3 Q96JM7 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HRH3 Q9Y5N1 9/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ PDK2 Q15119 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ DPP4 P27487 1/20 0.35

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
SCHEMBL29882323 1.00 L3MBTL3 (0.39) L3MBTL3L3MBTL1HPGDHRH3SMN1; SMN2
SCHEMBL23608666 0.78 KMT2A (0.34) HPGDSMN1; SMN2
SCHEMBL23580504 0.77 NPC1 (0.39) L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL29882674 0.77 NPC1 (0.39) L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL23580608 0.75 CCR3 (0.36) POLBPDK2DPP4
SCHEMBL29882638 0.75 CCR3 (0.36) POLBPDK2DPP4
SCHEMBL23608500 0.75 KMT2A (0.34) HPGDHRH3SMN1; SMN2ALDH1A1PDK2
SCHEMBL23608896 0.73 ALDH1A1 (0.41) L3MBTL3L3MBTL1HPGDALDH1A1POLB
SCHEMBL23608894 0.73 KDM4E (0.41) HPGDSMN1; SMN2KDM4EPDK2DPP4
SCHEMBL24364780 0.73 ESR2 (0.36) L3MBTL1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 — — US disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 — — US disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 — — US disclosed
EP-4081526-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME Schrödinger, Inc. (US) 2022-11-02 — — EP disclosed
WO-2021134004-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRODINGER, INC. (US) 2021-07-01 — — WO disclosed
WO-2021134004-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRODINGER, INC. (US) 2021-07-01 — — WO 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 (1 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-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME MALT1, FKBP1B, FKBP1A L3MBTL3 4877/4885L3MBTL1 4519/4885HPGD 2376/4885

“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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