SCHEMBL523447

SCHEMBL523447

c1ccc(NCc2cccc(CNc3ccccc3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.64
MAOB P27338 3/20 0.64
CXCR4 P61073 1/20 0.63
KCNH3 Q9ULD8 1/20 0.49
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LTA4H P09960 1/20 0.46
KCNH2 Q12809 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
TAAR1 Q96RJ0 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL13090623 0.86 SMN1; SMN2 (0.55) MAOAMAOBCXCR4KCNH3NPC1
SCHEMBL14071633 0.81 MAOA (0.66) MAOAMAOBCXCR4KCNH3NPC1
SCHEMBL30373802 0.78 MAOA (1.00) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL522503 0.78 MAOA (1.00) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL30093226 0.78 CXCR4 (1.00) MAOAMAOBCXCR4NPC1RAB9A
SCHEMBL30093210 0.78 KMT2A (0.58) MAOAMAOBCXCR4KCNH3NPC1
SCHEMBL4371435 0.78 MAOA (0.51) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL16767094 0.77 CA1 (0.49) MAOAMAOBCXCR4NPC1RAB9A
Hydrochloric Acid SCHEMBL4509967 0.77 MAOA (0.96) MAOAMAOBNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL2085180 0.77 MAOA (0.96) MAOAMAOBNPC1RAB9ASMN1; SMN2

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
EP-2415742-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 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-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 MAOA 979/4885MAOB 974/4885CXCR4 1117/4885

“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.