SCHEMBL716400

SCHEMBL716400

O=C(Nc1ccc(O)cc1)c1c[c]c[c]c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 2/20 0.59
▸ DEGS1 O15121 3/20 0.53
▸ SNCA P37840 1/20 0.53
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ LMNA P02545 2/20 0.47
▸ TOP1 P11387 2/20 0.47
▸ TOP2A P11388 1/20 0.47
▸ TOP2B Q02880 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ PEPD P12955 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ BRD4 O60885 1/20 0.47
▸ NR1I2 O75469 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ MB P02144 1/20 0.47

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
SCHEMBL899585 0.80 DEGS1 (0.75) NQO2DEGS1SNCANPC1RAB9A
SCHEMBL8420639 0.80 DEGS1 (0.75) NQO2DEGS1SNCANPC1RAB9A
SCHEMBL900928 0.80 DEGS1 (0.75) NQO2DEGS1SNCANPC1RAB9A
SCHEMBL16677959 0.78 NQO2 (0.84) NQO2DEGS1SNCANPC1RAB9A
SCHEMBL719501 0.77 KMT2A (0.52) NPC1RAB9ATP53LMNATOP1
SCHEMBL17977272 0.76 NQO2 (0.61) NQO2DEGS1SNCANPC1RAB9A
SCHEMBL679222 0.75 DEGS1 (0.79) NQO2DEGS1NPC1RAB9ATP53
SCHEMBL20284045 0.75 DEGS1 (0.86) NQO2DEGS1SNCANPC1RAB9A
SCHEMBL715515 0.75 NQO2 (1.00) NQO2DEGS1SNCANPC1RAB9A
SCHEMBL8770541 0.75 DEGS1 (0.68) NQO2DEGS1SNCANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200188878-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2020-06-18 — — US disclosed
US-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-10-06 — — US disclosed
EP-2391658-B1 MOLECULARLY IMPRINTED POLYMERS COMMW SCIENT IND RES ORG (AU) 2015-09-23 — — EP disclosed
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2012-03-01 — — US disclosed
EP-2391658-A1 MOLECULARLY IMPRINTED POLYMERS Commonwealth Scientific and Industrial Research Organisation (AU) 2011-12-07 — — EP disclosed
WO-2010085851-A1 MOLECULARLY IMPRINTED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2010-08-05 — — WO 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-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 NQO2 2288/4885DEGS1 4552/4885SNCA 4492/4885
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 NQO2 2288/4885DEGS1 4552/4885SNCA 4492/4885
US-20200188878-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 NQO2 2288/4885DEGS1 4552/4885SNCA 4492/4885

“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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