SCHEMBL23343516

SCHEMBL23343516

CC1CC2CC(C)c3cc4nc(-c5ccccc5)cnc4cc3C(C1)C2

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ PDGFRB P09619 1/20 0.50
▸ KDR P35968 1/20 0.50
▸ FLT3 P36888 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ TLR9 Q9NR96 1/20 0.42
▸ HPGD P15428 1/20 0.36
▸ FGFR1 P11362 1/20 0.35
▸ FGFR2 P21802 1/20 0.35
▸ FGFR4 P22455 1/20 0.35
▸ FGFR3 P22607 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL16905604 0.86 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9APDGFRBKDR
SCHEMBL22725265 0.86 NPC1 (0.62) SMN1; SMN2NPC1RAB9APDGFRBKDR
SCHEMBL23343514 0.85 KDM4E (0.40) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL23343419 0.81 L3MBTL1 (0.37) SMN1; SMN2NPC1RAB9APDGFRBKDR
SCHEMBL30930844 0.75 CHRNB2 (0.54) SMN1; SMN2NPC1RAB9APDGFRBKDR
SCHEMBL21074670 0.75 CHRNB2 (0.54) SMN1; SMN2NPC1RAB9APDGFRBKDR
SCHEMBL18309474 0.74 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9APDGFRBKDR
SCHEMBL23343395 0.72 CHRNB2 (0.59) ALDH1A1HPGDFGFR1MAPK1
SCHEMBL19561455 0.72 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9APDGFRBKDR
SCHEMBL16905420 0.69 KDM4E (0.46) SMN1; SMN2NPC1RAB9AALDH1A1GAA

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-11005050-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-05-11 — — 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-11005050-B2 Metal complexes SOD1, AP1M1, AP3M1 SMN1; SMN2 3736/4885NPC1 3516/4885RAB9A 2201/4885

“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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