SCHEMBL25503247

SCHEMBL25503247

C[C@@]1(C#N)COCc2ccc(C(=O)NCC(=O)Nc3nc(-c4cc(F)c5c(c4)CCO5)cs3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.39
▸ NPC1 O15118 6/20 0.39
▸ SMN1; SMN2 Q16637 6/20 0.39
▸ KMT2A Q03164 10/20 0.37
▸ MEN1 O00255 9/20 0.37
▸ MAPT P10636 5/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ CLK1 P49759 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HPGD P15428 2/20 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
SCHEMBL25503072 0.90 KMT2A (0.40) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL25503254 0.89 MEN1 (0.38) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL25502884 0.84 MAPT (0.44) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL25502861 0.84 HDAC1 (0.46) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL25503728 0.83 MEN1 (0.45) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL25503534 0.83 ALDH1A1 (0.41) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL25502787 0.82 ALDH1A1 (0.35) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL25503398 0.81 MMP2 (0.37) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL25503723 0.81 ALK (0.40) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL25503734 0.80 CYP3A4 (0.47) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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 RAB9A 572/4885NPC1 138/4885SMN1; SMN2 40/4885

“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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