SCHEMBL776579

SCHEMBL776579

c1cc[n+](-c2ccc(-[n+]3ccccc3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
ACHE P22303 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
BCL2 P10415 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL125499 0.90 MAPT (0.35) NPC1MAPTRAB9AACHECA1
SCHEMBL3025924 0.88 NPC1 (0.36) NPC1MAPTRAB9ACA1CA2
SCHEMBL28558026 0.87 MAPT (0.34) NPC1MAPTRAB9AACHEALDH1A1
Hydrochloric Acid SCHEMBL30042005 0.87 MAPT (0.35) NPC1MAPTRAB9AACHECA1
Iodide SCHEMBL1502876 0.87 MAPT (0.34) NPC1MAPTRAB9AACHEALDH1A1
Hydrochloric Acid SCHEMBL636092 0.87 MAPT (0.35) NPC1MAPTRAB9AACHECA1
SCHEMBL28817308 0.87 MAPT (0.34) NPC1MAPTRAB9AACHEALDH1A1
Bromide SCHEMBL636300 0.87 ACHE (0.37) NPC1MAPTRAB9AACHEALDH1A1
Ammonia Solution, Strong SCHEMBL4202272 0.87 MAPT (0.34) NPC1MAPTRAB9AACHEALDH1A1
Water SCHEMBL2150507 0.87 ACHE (0.37) NPC1MAPTRAB9AACHEALDH1A1

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-20120069418-A1 ELECTROCHROMIC FORMULATION, METHOD FOR THE PRODUCTION THEREOF, AND ORGANIC ELECTROCHROMIC COMPONENT SIEMENS AKTIENGESELLSCHAFT (DE) 2012-03-22 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-20120069418-A1 ELECTROCHROMIC FORMULATION, METHOD FOR THE PRODUCTION THEREOF, AND ORGANIC ELECTROCHROMIC COMPONENT HCN2, EPX, HCN4 NPC1 4367/4885MAPT 1912/4885RAB9A 2138/4885

“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.