SCHEMBL23425337

SCHEMBL23425337

CN(C)c1ccc(/C=C/c2cc[n+](CCCNC(N)=S)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 6/20 0.58
▸ KDM2A Q9Y2K7 6/20 0.58
▸ MAPT P10636 4/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ GAA P10253 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ BRCA1 P38398 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ HBB P68871 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ALPG P10696 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MAOA P21397 1/20 0.44
▸ PTGS1 P23219 1/20 0.42

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
SCHEMBL17359308 0.81 KDM4A (0.67) KDM4AKDM2AMAPTKMT2AGAA
SCHEMBL13645407 0.80 KDM4A (0.84) KDM4AKDM2AMAPTKMT2AGAA
SCHEMBL14984138 0.80 KDM4A (0.79) KDM4AKDM2AMAPTKMT2AGAA
SCHEMBL12533259 0.79 KDM4A (0.88) KDM4AKDM2AMAPTKMT2AGAA
SCHEMBL14984144 0.77 KDM4A (0.73) KDM4AKDM2AMAPTKMT2AGAA
SCHEMBL10103995 0.76 KDM4A (0.88) KDM4AKDM2AMAPTKMT2AGAA
SCHEMBL13043665 0.75 KDM4A (0.61) KDM4AKDM2AMAPTKMT2AGAA
SCHEMBL13924724 0.75 KDM4A (0.97) KDM4AKDM2AMAPTKMT2AGAA
SCHEMBL10844383 0.74 KDM4A (1.00) KDM4AKDM2AMAPTKMT2AGAA
SCHEMBL13417473 0.74 KDM4A (1.00) KDM4AKDM2AMAPTKMT2AGAA

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-11021450-B2 PSMA targeted fluorescent agents for image guided surgery THE JOHNS HOPKINS UNIVERSITY (US) 2021-06-01 — — 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-11021450-B2 PSMA targeted fluorescent agents for image guided surgery KLK3, FOLH1, SPR KDM4A 2410/4885KDM2A 2226/4885MAPT 1722/4885

“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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