SCHEMBL26101708

SCHEMBL26101708

COc1ccc(CNC(=O)Nc2ccc(CC(=O)NC3CCC(c4ccccc4)C3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.59
▸ RAB9A P51151 5/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HTT P42858 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ JAK3 P52333 1/20 0.47
▸ FPR2 P25090 1/20 0.47

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
SCHEMBL26100779 0.87 LMNA (0.51) NPC1RAB9ASIGMAR1POLBJAK3
SCHEMBL26547254 0.83 EPHX2 (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL26097972 0.80 NPC1 (0.80) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL26101183 0.79 SMN1; SMN2 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL23747422 0.79 ALDH1A1 (0.76) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1171760 0.77 RAB9A (0.67) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL23747553 0.77 EPHX2 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1HDAC1
SCHEMBL23747557 0.77 SMN1; SMN2 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL24011345 0.77 NPC1 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8175404 0.77 RAB9A (0.89) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 — — US disclosed
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 — — 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-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 NPC1 463/4885RAB9A 807/4885SMN1; SMN2 1161/4885

“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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