SCHEMBL20440876

SCHEMBL20440876

CC(C)(C)c1ccc(NC(O)CSc2nnc[nH]2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HRH3 Q9Y5N1 6/20 0.34
▸ HRH4 Q9H3N8 3/20 0.32
▸ CYP3A4 P08684 3/20 0.32
▸ CYP2D6 P10635 3/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ MAPT P10636 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ XBP1 P17861 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ NR1H4 Q96RI1 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL23969932 0.79 RXRA (0.34) CYP2D6
SCHEMBL23969881 0.79 PPARG (0.31) —
SCHEMBL23969874 0.76 TP53 (0.34) MAPT
SCHEMBL18689391 0.75 POLB (0.48) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL18689398 0.72 POLB (0.50) RAB9ASMN1; SMN2MAPTMEN1HTT
SCHEMBL9501204 0.64 TSHR (0.46) NPC1RAB9ASMN1; SMN2CYP3A4CYP1A2
SCHEMBL14274177 0.63 LMNA (0.44) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL417382 0.62 KIF11 (0.44) NPC1RAB9ASMN1; SMN2KDM4EHTT
SCHEMBL14034732 0.61 KIF11 (0.46) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL25039432 0.61 LMNA (0.39) NPC1RAB9ASMN1; SMN2MAPTMEN1

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-20180215721-A1 TEAD TRANSCRIPTION FACTOR AUTOPALMITOYLATION INHIBITORS THE GENERAL HOSPITAL CORPORATION 2018-08-02 — — 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-20180215721-A1 TEAD TRANSCRIPTION FACTOR AUTOPALMITOYLATION INHIBITORS TEAD1, TEAD2, TEAD3 NPC1 289/4885RAB9A 931/4885SMN1; SMN2 3798/4885

“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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