SCHEMBL13561373

SCHEMBL13561373

N#CC[n+]1ccc(-c2cc[n+](Cc3cccc(C[n+]4ccc(-c5cc[n+](CC#N)cc5)cc4)c3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 11/20 0.50
▸ BCHE P06276 3/20 0.47
▸ ACHE P22303 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MMP3 P08254 1/20 0.39

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
SCHEMBL13561372 0.85 CHKA (0.49) CHKABCHEACHEKDM4EALDH1A1
SCHEMBL9716874 0.81 MEN1 (0.38) CHKAKDM4EALDH1A1RAB9AMEN1
Hydrochloric Acid SCHEMBL29539277 0.78 CHKA (0.49) CHKABCHEACHEKDM4EALDH1A1
SCHEMBL14475780 0.77 CHKA (0.41) CHKABCHEACHEKDM4EALDH1A1
SCHEMBL19661291 0.77 BCHE (0.56) CHKABCHEACHEKDM4EALDH1A1
SCHEMBL13561376 0.75 CHKA (0.53) CHKABCHEACHEKDM4EALDH1A1
SCHEMBL28949028 0.72 GSK3A (0.52) CHKAKDM4EALDH1A1RAB9A
SCHEMBL30008866 0.72 GSK3A (0.52) CHKAKDM4EALDH1A1RAB9A
Benzyl Viologen SCHEMBL599497 0.71 ALDH1A1 (0.75) CHKAKDM4EALDH1A1RAB9AMEN1
SCHEMBL22422901 0.71 ACHE (0.63) CHKABCHEACHEALDH1A1

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-20120276649-A1 THIOL DETECTION THE OREGON BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY 2012-11-01 — — 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-20120276649-A1 THIOL DETECTION GLO1, AHCY, BHMT2 CHKA 2980/4885BCHE 242/4885ACHE 80/4885

“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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