SCHEMBL25502787

SCHEMBL25502787

C[C@@]1(C#N)COCc2ccc(C(=O)NCC(=O)Nc3nc(-c4cc(F)cc(C5CCO5)c4)cs3)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.35
▸ RAB9A P51151 6/20 0.35
▸ KMT2A Q03164 6/20 0.35
▸ MAPT P10636 5/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 4/20 0.34
▸ POLB P06746 4/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ GCK P35557 1/20 0.33

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
SCHEMBL25503390 0.90 MAPT (0.37) ALDH1A1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL25503321 0.90 MAPT (0.37) ALDH1A1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL25503463 0.90 MAPT (0.37) ALDH1A1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL25503534 0.86 ALDH1A1 (0.41) ALDH1A1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL25502861 0.86 HDAC1 (0.46) ALDH1A1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL25503254 0.85 MEN1 (0.38) ALDH1A1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL25503398 0.84 MMP2 (0.37) ALDH1A1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL25502884 0.83 MAPT (0.44) RAB9AKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL25503657 0.82 ALK (0.37) ALDH1A1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL25503728 0.82 MEN1 (0.45) ALDH1A1RAB9AKMT2AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230149414-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-18 — — 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 (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-20230149414-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB ALDH1A1 2571/4885RAB9A 572/4885KMT2A 792/4885

“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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