SCHEMBL19714967

SCHEMBL19714967

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ CA9 Q16790 3/20 0.44
▸ CA5A P35218 1/20 0.44
▸ CA5B Q9Y2D0 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP51A1 Q16850 4/20 0.38
▸ PTGS2 P35354 6/20 0.35
▸ PSMB8 P28062 1/20 0.35
▸ RAD51 Q06609 1/20 0.35
▸ NOX1 Q9Y5S8 1/20 0.34
▸ CA4 P22748 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ SCN1A P35498 1/20 0.31
▸ SCN2A Q99250 1/20 0.31
▸ SCN3A Q9NY46 1/20 0.31
▸ PTGS1 P23219 1/20 0.31

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
SCHEMBL23854165 0.81 CA1 (0.47) CA1CA2CA9CA5ACA5B
SCHEMBL13882617 0.81 CA1 (0.47) CA1CA2CA9CA5ACA5B
SCHEMBL16748959 0.80 CA1 (0.58) CA1CA2CA9CA5ACA5B
SCHEMBL14340571 0.77 ALDH1A1 (0.50) CA1CA2CA9CA5ACA5B
SCHEMBL13475881 0.77 CA1 (0.48) CA1CA2CA9CA5ACA5B
SCHEMBL30002551 0.76 CA1 (0.52) CA1CA2CA9CA5ACA5B
SCHEMBL28837942 0.76 CA1 (0.42) CA1CA2CA9CA5ACA5B
SCHEMBL13668357 0.74 TP53 (0.42) CA1CA2CA9CA5ACA5B
SCHEMBL18845153 0.74 CA1 (0.41) CA1CA2CA9CA5ACA5B
SCHEMBL29443898 0.74 CA1 (0.41) CA1CA2CA9CA5ACA5B

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
CN-110383538-A Thin film electrode, resin layer forming ink, inorganic layer forming ink, and electrode printing apparatus 株式会社理光 2019-10-25 — — CN disclosed
US-10098828-B2 Cosmetic method for controlling odors L'OREAL (FR) 2018-10-16 — — US disclosed
US-20170360678-A1 COSMETIC METHOD FOR CONTROLLING ODORS L'OREAL (FR) 2017-12-21 — — 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 (2 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-10098828-B2 Cosmetic method for controlling odors OR51E2, AOX1, LPO CA1 1122/4885CA2 1720/4885CA9 344/4885
US-20170360678-A1 COSMETIC METHOD FOR CONTROLLING ODORS OR51E2, AOX1, LPO CA1 1122/4885CA2 1720/4885CA9 344/4885

“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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