SCHEMBL25826365

SCHEMBL25826365

Cc1cc(Cc2cnc(C)c([N+](=O)[O-])c2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 2/20 0.37
RECQL P46063 1/20 0.37
MEN1 O00255 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
GAA P10253 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.36
KCNQ2 O43526 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CASP1 P29466 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL25826364 0.81 TSHR (0.50) SMN1; SMN2MAPTLMNARECQLMEN1
SCHEMBL25826450 0.77 SMN1; SMN2 (0.37) SMN1; SMN2MAPTLMNARECQLMEN1
SCHEMBL12727962 0.77 POLB (0.63) SMN1; SMN2MAPTMEN1HTTKMT2A
SCHEMBL25826366 0.72 ALDH1A1 (0.44) SMN1; SMN2MAPTHTTKMT2APOLB
SCHEMBL25826451 0.72 MEN1 (0.38) SMN1; SMN2MAPTLMNARECQLMEN1
SCHEMBL12240368 0.72 SMN1; SMN2 (0.38) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL25786904 0.71 HPGD (0.41) SMN1; SMN2MAPTCYP2C9CYP2C19GAA
SCHEMBL2255705 0.70 PKM (0.40) SMN1; SMN2MAPTGAANPSR1POLB
SCHEMBL25826381 0.69 PIK3CB (0.38) GAAKCNQ2UHRF1
SCHEMBL19335823 0.68 UHRF1 (0.39) CYP3A4KCNQ2TSHRUHRF1

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 SMN1; SMN2 2070/4885MAPT 3999/4885LMNA 1249/4885

“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.