SCHEMBL16674090

SCHEMBL16674090

[N-]=[N+]=Nc1ccc(COC(=O)Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.53
▸ TP53 P04637 1/20 0.46
▸ CYP51A1 Q16850 2/20 0.41
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA5B Q9Y2D0 1/20 0.39
▸ SLC6A3 Q01959 3/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ NCOR2 Q9Y618 1/20 0.37
▸ SCN1A P35498 1/20 0.37
▸ SCN2A Q99250 1/20 0.37
▸ SCN3A Q9NY46 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMO Q99835 1/20 0.35
▸ PTGS2 P35354 1/20 0.35

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
SCHEMBL15083519 0.83 CA1 (0.42) TP53CYP51A1CA1CA2CA5A
SCHEMBL23157115 0.83 TP53 (0.42) ALDH1A1TP53CYP51A1CA1CA2
SCHEMBL13449655 0.83 ALDH1A1 (0.53) ALDH1A1TP53CYP51A1CA1CA2
SCHEMBL8021350 0.80 ALDH1A1 (0.78) ALDH1A1SLC6A3MEN1KMT2A
SCHEMBL27263883 0.79 ALDH1A1 (0.60) ALDH1A1SLC6A3MEN1KMT2A
SCHEMBL21671191 0.78 TP53 (0.38) TP53CYP51A1CA1CA2CA5A
SCHEMBL23623916 0.78 HDAC8 (0.40) ALDH1A1TP53CYP51A1CA1CA2
SCHEMBL18074915 0.76 CYP51A1 (0.45) TP53CYP51A1CA1CA2CA5A
SCHEMBL25303252 0.76 PLAU (0.49) ALDH1A1
SCHEMBL23623804 0.76 HDAC8 (0.41) ALDH1A1TP53SLC6A3HDAC3HDAC8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021252708-A1 STABILIZED TRIOXACARCIN ANTIBODY DRUG CONJUGATES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-12-16 — — WO disclosed
US-9220794-B2 Two-photon fluorescent probes for imaging of total sulfide in live cell and tissue, and quantitative estimation of total sulfide concentration using the same KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2015-12-29 — — US disclosed
US-20150118162-A1 TWO-PHOTON FLUORESCENT PROBES FOR IMAGING OF TOTAL SULFIDE IN LIVE CELL AND TISSUE, AND QUANTITATIVE ESTIMATION OF TOTAL SULFIDE CONCENTRATION USING THE SAME KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2015-04-30 — — 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-20150118162-A1 TWO-PHOTON FLUORESCENT PROBES FOR IMAGING OF TOTAL SULFIDE IN LIVE CELL AND TISSUE, AND QUANTITATIVE ESTIMATION OF TOTAL SULFIDE CONCENTRATION USING THE SAME CBS, TST, QSOX1 ALDH1A1 218/4885TP53 3869/4885CYP51A1 3947/4885

“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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