SCHEMBL26546702

SCHEMBL26546702

COc1ccc(CNC(=O)Nc2ccc(Cn3cccn3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
SMN1; SMN2 Q16637 1/20 0.61
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
NAMPT P43490 7/20 0.56
HTT P42858 2/20 0.55
USP2 O75604 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
ROCK2 O75116 1/20 0.54
POLB P06746 1/20 0.54
HIF1A Q16665 1/20 0.51

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
SCHEMBL23747326 0.86 NAMPT (0.62) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL17916794 0.82 SMN1; SMN2 (0.88) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3319825 0.80 MAPT (0.55) NPC1RAB9AMEN1KMT2AHDAC1
SCHEMBL16562239 0.78 SMN1; SMN2 (0.77) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11617361 0.78 NAMPT (0.85) NPC1RAB9ASMN1; SMN2HDAC1HDAC6
SCHEMBL5427744 0.78 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MEN1KMT2A
Boric Acid SCHEMBL28068644 0.78 NOS3 (0.52) MEN1KMT2AHDAC1HDAC6HTT
SCHEMBL8175404 0.78 RAB9A (0.89) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL20380160 0.78 L3MBTL1 (0.56) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL23747822 0.77 SMN1; SMN2 (0.75) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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.