SCHEMBL25826318

SCHEMBL25826318

CC(=O)Nc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.68
MAPT P10636 4/20 0.68
RAB9A P51151 4/20 0.68
NPBWR1 P48145 4/20 0.60
MMP2 P08253 5/20 0.59
MMP9 P14780 5/20 0.59
MMP8 P22894 5/20 0.59
MMP13 P45452 4/20 0.59
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 2/20 0.58
HPGD P15428 2/20 0.58
TP53 P04637 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
HTT P42858 2/20 0.56
CASP3 P42574 2/20 0.56
SENP8 Q96LD8 2/20 0.56
SENP7 Q9BQF6 2/20 0.56

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
SCHEMBL19739144 0.89 MMP2 (0.60) NPC1MAPTRAB9ANPBWR1MMP2
SCHEMBL19739335 0.85 MMP2 (0.53) NPC1MAPTRAB9ANPBWR1MMP2
SCHEMBL20982455 0.84 ALDH1A1 (0.67) NPC1MAPTRAB9AALDH1A1MEN1
SCHEMBL5566197 0.84 NPC1 (0.78) NPC1MAPTRAB9ANPBWR1MMP2
SCHEMBL6526357 0.83 MMP2 (0.70) NPC1MAPTRAB9ANPBWR1MMP2
SCHEMBL20982497 0.82 ALDH1A1 (0.66) NPC1MAPTRAB9AALDH1A1MEN1
SCHEMBL12470997 0.82 NPBWR1 (0.82) NPC1MAPTRAB9ANPBWR1MMP2
SCHEMBL27202458 0.82 HPSE (0.67) NPC1MAPTRAB9AMMP2MMP9
SCHEMBL3183363 0.81 NPBWR1 (0.63) NPC1MAPTRAB9ANPBWR1MMP2
SCHEMBL13856173 0.81 NPBWR1 (0.80) NPC1MAPTRAB9ANPBWR1MMP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 US disclosed
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 (2 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR NPC1 1106/4885MAPT 3962/4885RAB9A 1430/4885
US-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR NPC1 1175/4885MAPT 3999/4885RAB9A 1375/4885

“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.