SCHEMBL25503734

SCHEMBL25503734

COc1cc(-c2csc(NC(=O)CNC(=O)c3ccc4c(c3)[C@](C)(C#N)COC4)n2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 7/20 0.47
▸ MAPT P10636 6/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ MAPK1 P28482 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ ROCK1 Q13464 5/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ PRKACA P17612 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PTBP1 P26599 1/20 0.37
▸ WNT3A P56704 1/20 0.37
▸ POLB P06746 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
SCHEMBL25503748 0.88 ALDH1A1 (0.49) CYP3A4MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL25503714 0.87 MRE11 (0.46) CYP3A4MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL25503728 0.87 MEN1 (0.45) MAPTALDH1A1SMN1; SMN2MAPK1HPGD
SCHEMBL25502884 0.87 MAPT (0.44) MAPTSMN1; SMN2MAPK1LMNAHTT
SCHEMBL25503534 0.85 ALDH1A1 (0.41) CYP3A4MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL25502861 0.85 HDAC1 (0.46) MAPTALDH1A1SMN1; SMN2MAPK1ROCK1
SCHEMBL25503154 0.84 WNT1 (0.37) CYP3A4MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL25503761 0.83 MPL (0.46) MAPTALDH1A1SMN1; SMN2MAPK1HPGD
SCHEMBL25503723 0.83 ALK (0.40) MAPTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL25503254 0.83 MEN1 (0.38) MAPTALDH1A1SMN1; SMN2MAPK1KDM4E

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 CYP3A4 3718/4885MAPT 2074/4885ALDH1A1 2571/4885

“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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