SCHEMBL25826336

SCHEMBL25826336

Cc1cc(Nc2ccc(N)c([N+](=O)[O-])c2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
ALDH1A1 P00352 6/20 0.47
MAPT P10636 6/20 0.45
KMT2A Q03164 5/20 0.45
TDP1 Q9NUW8 4/20 0.45
MEN1 O00255 4/20 0.45
POLB P06746 3/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
ROCK1 Q13464 2/20 0.41
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.40
HDAC3 O15379 1/20 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
SCHEMBL25826396 0.82 HPGD (0.53) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL25826366 0.81 ALDH1A1 (0.44) ALDH1A1MAPTKMT2APOLBSMN1; SMN2
SCHEMBL23999556 0.79 HDAC3 (0.43) ALDH1A1TDP1CYP3A4ALOX15SMN1; SMN2
SCHEMBL30210264 0.79 HDAC3 (0.43) ALDH1A1TDP1CYP3A4ALOX15SMN1; SMN2
SCHEMBL26310311 0.78 ROCK1 (0.47) ALDH1A1MAPTKMT2ATDP1MEN1
SCHEMBL26310066 0.77 ROCK1 (0.58) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL9793524 0.76 FFAR4 (0.62) TSHRALDH1A1MAPTKMT2ATDP1
SCHEMBL28487623 0.76 L3MBTL1 (0.58) ALDH1A1MAPTKMT2ATDP1MEN1
SCHEMBL25826364 0.75 TSHR (0.50) TSHRALDH1A1MAPTKMT2ATDP1
SCHEMBL112673 0.74 TSHR (0.59) TSHRALDH1A1MAPTKMT2ATDP1

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-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
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 (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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR TSHR 2656/4885ALDH1A1 4544/4885MAPT 3962/4885
US-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR TSHR 2571/4885ALDH1A1 4541/4885MAPT 3999/4885

“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.