SCHEMBL25826366

SCHEMBL25826366

Cc1cc(Nc2cnc(C)c([N+](=O)[O-])c2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
RAB9A P51151 4/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
CDK4 P11802 2/20 0.38
CDK2 P24941 2/20 0.38
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
ABCC1 P33527 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL25826336 0.81 TSHR (0.50) ALDH1A1HDAC3HDAC1HDAC2HDAC6
SCHEMBL25826396 0.77 HPGD (0.53) ALDH1A1RAB9ASMN1; SMN2MAPTCDK2
SCHEMBL28487623 0.76 L3MBTL1 (0.58) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL23410840 0.76 ALDH1A1 (0.45) ALDH1A1HDAC3HDAC1HDAC2HDAC6
SCHEMBL29898984 0.76 ALDH1A1 (0.45) ALDH1A1HDAC3HDAC1HDAC2HDAC6
SCHEMBL27273411 0.76 LMNA (0.43) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL26310185 0.75 HDAC3 (0.37) ALDH1A1HDAC3HDAC1HDAC2HDAC6
SCHEMBL26310066 0.74 ROCK1 (0.58) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL26310311 0.73 ROCK1 (0.47) ALDH1A1HDAC3HDAC1HDAC2HDAC6
SCHEMBL25826365 0.72 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2MAPTKMT2APOLB

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 ALDH1A1 4541/4885HDAC3 171/4885HDAC1 381/4885

“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.