SCHEMBL23157402

SCHEMBL23157402

[N-]=[N+]=Nc1ccc(CON)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 15/20 0.48
▸ AGXT P21549 11/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA5A P35218 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA5B Q9Y2D0 1/20 0.44
▸ CYP51A1 Q16850 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
SCHEMBL18074915 0.83 CYP51A1 (0.45) CA1CA2CA5ACA9CA5B
SCHEMBL22683759 0.80 CYP51A1 (0.42) CA1CA2CA5ACA9CA5B
SCHEMBL23157787 0.78 IDO1 (0.53) IDO1AGXTCYP3A4
SCHEMBL26048600 0.77 PTGS2 (0.41) CA1CA2CA5ACA9CA5B
SCHEMBL20553240 0.77 CA1 (0.48) CA1CA2CA5ACA9CA5B
SCHEMBL15083519 0.77 CA1 (0.42) CA1CA2CA5ACA9CA5B
SCHEMBL30874461 0.76 CYP51A1 (0.49) CA1CA2CA5ACA9CA5B
SCHEMBL15590856 0.76 CYP51A1 (0.49) CYP3A4CA1CA2CA5ACA9
SCHEMBL16288084 0.76 CA1 (0.41) CYP3A4CA1CA2CA5ACA9
SCHEMBL16288086 0.76 CA1 (0.41) CA1CA2CA5ACA9CA5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210094975-A1 RAPAMYCIN ANALOGS AS MTOR INHIBITORS Revolution Medicines, Inc. 2021-04-01 — — US disclosed
CN-110770243-A Rapamycin analogs as MTOR inhibitors 锐新医药公司 2020-02-07 — — CN 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-20210094975-A1 RAPAMYCIN ANALOGS AS MTOR INHIBITORS MTOR, RICTOR, RPTOR IDO1 4048/4885AGXT 3057/4885CYP3A4 4795/4885

“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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