SCHEMBL16010335

SCHEMBL16010335

O=C(O)C(=O)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.71
CA9 Q16790 1/20 0.71
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPT P10636 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
RAB9A P51151 2/20 0.56
GSK3B P49841 1/20 0.53
CYP1A2 P05177 1/20 0.51
AKR1B1 P15121 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.50
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL522649 0.83 CA12 (1.00) CA12CA9KMT2AMEN1ALDH1A1
SCHEMBL29744481 0.83 CA12 (1.00) CA12CA9KMT2AMEN1ALDH1A1
Phosphine SCHEMBL31113454 0.82 CA12 (0.96) CA12CA9KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL7085111 0.82 CA12 (0.96) CA12CA9KMT2AMEN1ALDH1A1
SCHEMBL8940040 0.81 CA12 (0.73) CA12CA9KMT2AMEN1ALDH1A1
SCHEMBL6575568 0.81 CA12 (0.67) CA12CA9KMT2AMEN1ALDH1A1
SCHEMBL10699963 0.81 POLB (0.58) CA12CA9KMT2AALDH1A1MAPT
SCHEMBL11148327 0.79 CA12 (0.70) CA12CA9KMT2AMEN1ALDH1A1
SCHEMBL543706 0.78 GSK3B (0.75) CA12CA9KMT2AMEN1ALDH1A1
SCHEMBL30546567 0.78 GSK3B (0.75) CA12CA9KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256767-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS THE BROAD INSTITUTE, INC. (US) 2014-09-11 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-20140256767-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS KEAP1, NFE2L2, HMOX1 CA12 4780/4885CA9 4197/4885KMT2A 2469/4885

“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.