SCHEMBL13030888

SCHEMBL13030888

CNCC[n+]1ccc(/C=C/c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 7/20 0.52
▸ CHRNA7 P36544 1/20 0.45
▸ ATM Q13315 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ RELA Q04206 2/20 0.38
▸ KDM4A O75164 1/20 0.37
▸ KDM2A Q9Y2K7 1/20 0.37
▸ TRPA1 O75762 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ APOBEC3A P31941 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ APOBEC3G Q9HC16 1/20 0.37

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
SCHEMBL13043665 0.80 KDM4A (0.61) RELAKDM4AKDM2AMEN1NPC1
SCHEMBL13030887 0.76 CHAT (0.59) CHATCHRNA7MEN1USP2RAB9A
SCHEMBL10615942 0.76 KDM4A (0.57) CHATKDM4AKDM2AHTR2AMEN1
SCHEMBL10615946 0.76 KDM4A (0.57) CHATKDM4AKDM2AHTR2AMEN1
SCHEMBL20614628 0.75 CHAT (0.52) CHATCHRNA7MEN1USP2RAB9A
SCHEMBL13201286 0.74 MEN1 (0.42) RELAMEN1NPC1RAB9AKMT2A
SCHEMBL13107389 0.73 CHAT (0.50) CHATCHRNA7MEN1USP2RAB9A
(Z)-1,2-Diphenylethene SCHEMBL5492329 0.72 MAOB (0.58) CHATRELATRPA1MEN1KMT2A
Bromide SCHEMBL29216858 0.71 CHAT (0.68) CHATKDM4AKDM2AHTR2AMEN1
SCHEMBL13030896 0.71 HTT (0.48) ATMTAAR1MEN1RAB9AKMT2A

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-20100279340-A1 Imaging agents for protein misfolding NYU (US) 2010-11-04 — — 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-20100279340-A1 Imaging agents for protein misfolding APBA1, APP, SPG11 CHAT 3608/4885CHRNA7 2437/4885ATM 4535/4885

“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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