SCHEMBL25826396

SCHEMBL25826396

Cc1cc(Nc2ccc([N+](=O)[O-])cc2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
ALOX12 P18054 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ROCK1 Q13464 1/20 0.51
KMT2A Q03164 7/20 0.49
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.49
MITF O75030 2/20 0.49
MAPK1 P28482 1/20 0.49
JAK2 O60674 1/20 0.48
HTT P42858 1/20 0.48
PAX8 Q06710 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ABCB1 P08183 1/20 0.48
ABCC1 P33527 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
KIF11 P52732 1/20 0.48
ALDH1A1 P00352 1/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL26310066 0.85 ROCK1 (0.58) ROCK1KMT2AMAPTPOLBHTT
SCHEMBL25826336 0.82 TSHR (0.50) HPGDROCK1KMT2AMAPTPOLB
SCHEMBL3178389 0.78 MAPT (0.71) HPGDALOX12L3MBTL1ROCK1KMT2A
SCHEMBL18289621 0.77 HPGD (0.83) HPGDALOX12L3MBTL1ROCK1KMT2A
SCHEMBL18289622 0.77 HPGD (0.83) HPGDALOX12L3MBTL1ROCK1KMT2A
SCHEMBL395942 0.77 HPGD (0.83) HPGDALOX12L3MBTL1ROCK1KMT2A
SCHEMBL4957626 0.77 HPGD (0.83) HPGDALOX12L3MBTL1ROCK1KMT2A
SCHEMBL25826366 0.77 ALDH1A1 (0.44) HPGDKMT2AMAPTPOLBHTT
SCHEMBL4626757 0.76 HSD17B10 (0.75) HPGDALOX12L3MBTL1KMT2AMAPT
SCHEMBL2144876 0.76 TSHR (0.50) KMT2AMAPTHTTSMN1; SMN2ALDH1A1

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-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 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 (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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR HPGD 2503/4885ALOX12 1667/4885L3MBTL1 2256/4885

“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.