SCHEMBL18474356

SCHEMBL18474356

CCCOc1ccc2cc(NC)c(=O)oc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.62
CA1 P00915 3/20 0.62
CA6 P23280 3/20 0.62
CA7 P43166 3/20 0.62
CA9 Q16790 3/20 0.62
CA14 Q9ULX7 3/20 0.62
CA5B Q9Y2D0 3/20 0.62
CA2 P00918 2/20 0.62
CA5A P35218 2/20 0.62
ALDH1A1 P00352 5/20 0.57
KDM4E B2RXH2 4/20 0.57
HPGD P15428 4/20 0.57
GLA P06280 3/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 2/20 0.57
MAPK1 P28482 2/20 0.57
GAA P10253 2/20 0.57
NPC1 O15118 1/20 0.57
PKM P14618 1/20 0.57

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
SCHEMBL20095262 0.86 MAOB (0.51) CA12CA1CA6CA7CA9
SCHEMBL18474355 0.81 CA9 (0.65) CA12CA1CA6CA7CA9
SCHEMBL16674827 0.77 MAOB (0.69) CA12CA1CA6CA7CA9
SCHEMBL11149402 0.77 GLA (0.81) CA12CA1CA6CA7CA9
7-Propoxycoumarin SCHEMBL6690398 0.77 CA9 (1.00) CA12CA1CA6CA7CA9
SCHEMBL7884433 0.75 CA9 (0.58) CA12CA1CA6CA7CA9
SCHEMBL17208771 0.75 CA9 (0.58) CA12CA1CA6CA7CA9
SCHEMBL3042896 0.75 ALDH1A1 (0.83) CA12CA1CA6CA7CA9
SCHEMBL28724124 0.75 CA12 (0.65) CA12CA1CA6CA7CA9
SCHEMBL16674828 0.74 MAOB (0.61) CA12CA1CA6CA7CA9

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
US-20190125882-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2019-05-02 US disclosed
US-9867883-B2 Isatoic anhydride derivatives and applications thereof THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2018-01-16 US disclosed
US-20170035893-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2017-02-09 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-20190125882-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF AASDHPPT, CA13, CA12 CA12 3/4885CA1 4/4885CA6 14/4885
US-20170035893-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF AASDHPPT, CA13, CA12 CA12 3/4885CA1 4/4885CA6 14/4885

“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.