SCHEMBL13045848

SCHEMBL13045848

CN(C)c1ccc2c(-c3ccc(NN)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 9/20 0.60
▸ CA2 P00918 9/20 0.60
▸ CA9 Q16790 9/20 0.60
▸ CA12 O43570 5/20 0.60
▸ MEN1 O00255 1/20 0.59
▸ THRB P10828 1/20 0.59
▸ RECQL P46063 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ P2RY6 Q15077 1/20 0.56
▸ CA14 Q9ULX7 2/20 0.53
▸ GBA1 P04062 2/20 0.47
▸ ITPR1 Q14643 1/20 0.44
▸ USP2 O75604 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ HTR3A P46098 1/20 0.42
▸ P2RY2 P41231 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.40
▸ APAF1 O14727 1/20 0.40

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
SCHEMBL13078711 0.88 ABCB1 (0.49) CA1CA2CA9CA12MEN1
SCHEMBL14013405 0.87 MEN1 (0.62) CA1CA2CA9CA12MEN1
SCHEMBL12418856 0.87 CA9 (0.60) CA1CA2CA9CA12MEN1
SCHEMBL12307301 0.86 MEN1 (0.64) CA1CA2CA9CA12MEN1
SCHEMBL10293759 0.86 P2RY6 (0.64) CA1CA2CA9CA12MEN1
Tetramethylrhodamine SCHEMBL2054818 0.85 MEN1 (0.71) CA1CA2CA9CA12MEN1
SCHEMBL12716296 0.85 P2RY6 (0.62) CA1CA2CA9CA12MEN1
SCHEMBL19818214 0.84 CA1 (0.64) CA1CA2CA9CA12MEN1
SCHEMBL14291308 0.84 CA1 (0.69) CA1CA2CA9CA12MEN1
SCHEMBL14176750 0.84 MEN1 (0.64) CA1CA2CA9CA12MEN1

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-8772487-B2 Fluorogenic hydrazine-substituted compounds Life Technologies Corporation (US) 2014-07-08 — — US disclosed
US-20100291547-A1 FLUOROGENIC HYDRAZINE-SUBSTITUTED COMPOUNDS Life Technologies Corporation (US) 2010-11-18 — — 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-20100291547-A1 FLUOROGENIC HYDRAZINE-SUBSTITUTED COMPOUNDS ALDH2, ALDH1A2, HLCS CA1 84/4885CA2 511/4885CA9 140/4885

“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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