SCHEMBL12418856

SCHEMBL12418856

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

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 11/20 0.60
▸ CA1 P00915 10/20 0.60
▸ CA2 P00918 10/20 0.60
▸ CA12 O43570 6/20 0.60
▸ MEN1 O00255 1/20 0.55
▸ THRB P10828 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ P2RY6 Q15077 1/20 0.55
▸ CA14 Q9ULX7 3/20 0.54
▸ GBA1 P04062 2/20 0.50
▸ ITPR1 Q14643 1/20 0.43
▸ HTR3A P46098 1/20 0.42
▸ P2RY2 P41231 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.39
▸ CA7 P43166 2/20 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
SCHEMBL13045848 0.87 CA1 (0.60) CA9CA1CA2CA12MEN1
SCHEMBL14291308 0.86 CA1 (0.69) CA9CA1CA2CA12MEN1
SCHEMBL24076838 0.85 MEN1 (0.54) CA9CA1CA2CA12MEN1
SCHEMBL19818214 0.84 CA1 (0.64) CA9CA1CA2CA12MEN1
SCHEMBL12716296 0.83 P2RY6 (0.62) CA9CA1CA2CA12MEN1
SCHEMBL10293759 0.82 P2RY6 (0.64) CA9CA1CA2CA12MEN1
SCHEMBL12307301 0.82 MEN1 (0.64) CA9CA1CA2CA12MEN1
SCHEMBL14013405 0.82 MEN1 (0.62) CA9CA1CA2CA12MEN1
Tetramethylrhodamine SCHEMBL2054818 0.81 MEN1 (0.71) CA9CA1CA2CA12MEN1
SCHEMBL14176750 0.81 MEN1 (0.64) CA9CA1CA2CA12MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10408843-B2 Compositions and methods for detecting S-nitrosylation and S-sulfinylation THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-09-10 — — US disclosed
US-20110171736-A1 FLUORESCENT ISOTOPE TAGS AND THEIR METHOD OF USE Life Technologies Corporation (US) 2011-07-14 — — US disclosed
US-20100081203-A1 FLUORESCENT ISOTOPE TAGS AND THEIR METHOD OF USE Life Technologies Corporation (US) 2010-04-01 — — US disclosed
US-20090017546-A1 FLUORESCENT ISOTOPE TAGS AND THEIR METHOD OF USE INVITROGEN CORPORATION (US) 2009-01-15 — — 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 (3 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-20090017546-A1 FLUORESCENT ISOTOPE TAGS AND THEIR METHOD OF USE SRMS, TMEM14C, HM13 CA9 748/4885CA1 1019/4885CA2 1339/4885
US-20110171736-A1 FLUORESCENT ISOTOPE TAGS AND THEIR METHOD OF USE SRMS, TMEM14C, HM13 CA9 748/4885CA1 1019/4885CA2 1339/4885
US-20100081203-A1 FLUORESCENT ISOTOPE TAGS AND THEIR METHOD OF USE SRMS, TMEM14C, HM13 CA9 748/4885CA1 1019/4885CA2 1339/4885

“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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