SCHEMBL25822231

SCHEMBL25822231

O=C(c1cccc([N+](=O)[O-])c1)N1CCc2c(Nc3ccncc3)cccc21

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
RXFP1 Q9HBX9 1/20 0.46
MAPT P10636 4/20 0.45
GAA P10253 1/20 0.45
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 3/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL24010241 0.83 STAT3 (0.40) RAB9AGAAPOLBHPGDL3MBTL1
SCHEMBL25822237 0.83 LMNA (0.45) NPC1RAB9ARXFP1MAPTTP53
SCHEMBL25822232 0.78 RXFP1 (0.55) RXFP1TP53SMN1; SMN2KDM4ELMNA
SCHEMBL30290923 0.74 DNMT1 (0.43) MAPTGAAPOLBKDM4EALDH1A1
SCHEMBL24009942 0.74 DNMT1 (0.43) MAPTGAAPOLBKDM4EALDH1A1
SCHEMBL25827157 0.71 HTR2C (0.40) RAB9AGAATP53SMN1; SMN2
SCHEMBL7352861 0.71 PDE4B (0.69) MAPTGAASMN1; SMN2ATM
SCHEMBL28989118 0.70 ADRA2A (0.38) MAPTSMN1; SMN2KDM4EL3MBTL1ALDH1A1
SCHEMBL7743046 0.69 KMT2A (0.81) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL25820804 0.69 UCHL1 (0.45) MAPTGAATP53SMN1; SMN2HPGD

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA NPC1 901/4885RAB9A 1255/4885RXFP1 4004/4885

“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.