SCHEMBL25822237

SCHEMBL25822237

O=C(c1cccc([N+](=O)[O-])c1)N1CCc2ccc(Nc3ccncc3)cc21

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.45
ATM Q13315 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HTR2C P28335 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 4/20 0.44
TP53 P04637 2/20 0.44
MITF O75030 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
BRAF P15056 1/20 0.42

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
SCHEMBL24010133 0.84 STAT3 (0.44) LMNAHPGDHTR2CRAB9AMAPT
SCHEMBL25822231 0.83 NPC1 (0.49) LMNAHPGDATMRXFP1NPC1
SCHEMBL25822238 0.79 RXFP1 (0.52) LMNARXFP1NPC1MAPTKDM4E
SCHEMBL24010367 0.77 STAT3 (0.42) LMNAHPGDHTR2CNPC1RAB9A
SCHEMBL25820810 0.76 FAAH (0.43) LMNAHPGDHTR2CRAB9AMAPT
SCHEMBL8614711 0.75 ALDH1A1 (0.61) LMNAHPGDNPC1RAB9AMAPT
SCHEMBL24010132 0.73 DNMT1 (0.44) MAPTPOLBMAPK1KDM4EALDH1A1
SCHEMBL30290895 0.73 DNMT1 (0.44) MAPTPOLBMAPK1KDM4EALDH1A1
SCHEMBL7352861 0.72 PDE4B (0.69) ATMMAPTMITF
SCHEMBL25821827 0.72 BRAF (0.69) LMNAHPGDATMNPC1RAB9A

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 LMNA 2015/4885HPGD 2768/4885ATM 292/4885

“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.