SCHEMBL18309474

SCHEMBL18309474

c1ccc(-c2cnc3cc4c(cc3n2)C2CCCC4CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ KDR P35968 2/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ PDGFRB P09619 1/20 0.56
▸ FLT3 P36888 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.52
▸ GLA P06280 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ TLR9 Q9NR96 1/20 0.50
▸ HPGD P15428 1/20 0.44
▸ ABL1 P00519 2/20 0.41
▸ YES1 P07947 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ HIPK1 Q86Z02 1/20 0.41
▸ ALOX5AP P20292 1/20 0.41

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 0.84 SMN1; SMN2 (0.58) SMN1; SMN2KDRNPC1PDGFRBFLT3
SCHEMBL21074670 0.80 CHRNB2 (0.54) SMN1; SMN2KDRNPC1PDGFRBFLT3
SCHEMBL30930844 0.80 CHRNB2 (0.54) SMN1; SMN2KDRNPC1PDGFRBFLT3
SCHEMBL22725265 0.78 NPC1 (0.62) SMN1; SMN2KDRNPC1PDGFRBFLT3
SCHEMBL19561455 0.77 SMN1; SMN2 (0.50) SMN1; SMN2KDRNPC1PDGFRBFLT3
SCHEMBL6215142 0.76 NPC1 (0.73) SMN1; SMN2KDRNPC1PDGFRBFLT3
SCHEMBL23343516 0.74 SMN1; SMN2 (0.50) SMN1; SMN2KDRNPC1PDGFRBFLT3
Ag1295 SCHEMBL925674 0.73 NPC1 (1.00) SMN1; SMN2KDRNPC1PDGFRBFLT3
SCHEMBL16905564 0.73 CNR2 (0.43) SMN1; SMN2NPC1RAB9AALOX5APFEN1
SCHEMBL8499923 0.73 SMN1; SMN2 (0.69) SMN1; SMN2KDRNPC1PDGFRBFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11005050-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-05-11 — — US disclosed
EP-3094638-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-11-08 — — EP disclosed
US-20160365520-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-12-15 — — US disclosed
US-20160365520-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-12-15 — — 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 (2 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 3736/4885KDR 4513/4885NPC1 3516/4885
US-20160365520-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 SMN1; SMN2 3736/4885KDR 4513/4885NPC1 3516/4885

“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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