SCHEMBL24042607

SCHEMBL24042607

C=N/C=C\C(=C/C)CNC(=O)Nc1ccc2c(C(=O)N(CC)Cc3ccccc3)noc2c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.54
▸ PRMT3 O60678 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ BCHE P06276 2/20 0.33
▸ ACHE P22303 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PDK1 Q15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL30943224 0.80 NAMPT (0.84) NAMPT
SCHEMBL24042554 0.80 NAMPT (0.84) NAMPT
SCHEMBL23320444 0.71 NAMPT (1.00) NAMPTPRMT3KMT2ARAB9A
SCHEMBL23320516 0.69 NAMPT (0.82) NAMPTPRMT3
SCHEMBL23320512 0.60 NAMPT (0.74) NAMPTRAB9A
SCHEMBL23320477 0.59 NAMPT (0.60) NAMPTPRMT3MEN1KMT2ANPC1
SCHEMBL13545811 0.58 LMNA (0.57) KMT2ANPC1MAPTRAB9A
SCHEMBL20229888 0.57 POLB (0.49) NAMPTMEN1KMT2ABCHEACHE
SCHEMBL25138742 0.56 HDAC1 (0.71) MEN1KMT2AMAPTL3MBTL1
SCHEMBL1004019 0.56 HDAC1 (0.71) MEN1KMT2AMAPTL3MBTL1

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-20210361636-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE DAIICHI SANKYO COMPANY LIMITED (JP) 2021-11-25 — — 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-20210361636-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE NAMPT, NME4, ABAT NAMPT 1/4885PRMT3 246/4885MEN1 1414/4885

“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.

Send feedback