SCHEMBL25825682

SCHEMBL25825682

O=C(Nc1ccc(Nc2ccccc2)cc1)Nc1ccc(Nc2ccncc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.85
CASP3 P42574 1/20 0.78
SENP7 Q9BQF6 1/20 0.78
MDM2 Q00987 1/20 0.70
SMN1; SMN2 Q16637 2/20 0.63
TP53 P04637 1/20 0.63
EPHX1 P07099 1/20 0.63
TSHR P16473 1/20 0.63
EPHX2 P34913 1/20 0.63
CDK9 P50750 1/20 0.63
CLK4 Q9HAZ1 1/20 0.63
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.62
LMNA P02545 1/20 0.60
POLB P06746 2/20 0.58
HTT P42858 2/20 0.58
RAB9A P51151 2/20 0.58
KDM4E B2RXH2 1/20 0.58
NPC1 O15118 1/20 0.58
GAA P10253 1/20 0.58

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
SCHEMBL305498 0.92 TAAR1 (1.00) TAAR1CASP3SENP7MDM2SMN1; SMN2
SCHEMBL23999548 0.92 MDM2 (0.83) TAAR1CASP3SENP7MDM2SMN1; SMN2
SCHEMBL12010916 0.88 CASP3 (1.00) TAAR1CASP3SENP7SMN1; SMN2TP53
SCHEMBL9479905 0.88 CASP3 (1.00) TAAR1CASP3SENP7SMN1; SMN2TP53
SCHEMBL30051986 0.88 CASP3 (1.00) TAAR1CASP3SENP7SMN1; SMN2TP53
SCHEMBL24003958 0.88 KMT2A (0.67) TAAR1CASP3SENP7MDM2SMN1; SMN2
SCHEMBL31668740 0.86 MDM2 (0.95) TAAR1MDM2SMN1; SMN2EPHX1KMT2A
SCHEMBL23069097 0.85 TAAR1 (0.85) TAAR1CASP3SENP7MDM2SMN1; SMN2
SCHEMBL10020286 0.84 MDM2 (1.00) TAAR1MDM2SMN1; SMN2EPHX1KMT2A
SCHEMBL29393952 0.82 JAK2 (0.86) SMN1; SMN2EPHX1KMT2AMEN1POLB

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 TAAR1 4651/4885CASP3 411/4885SENP7 2977/4885

“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.