SCHEMBL23999977

SCHEMBL23999977

Nc1ccc(-c2nc3ccc(Br)cc3o2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.76
RAB9A P51151 14/20 0.76
MAPT P10636 10/20 0.76
MEN1 O00255 8/20 0.76
KMT2A Q03164 8/20 0.76
KDM4E B2RXH2 8/20 0.76
ALDH1A1 P00352 7/20 0.76
SMN1; SMN2 Q16637 6/20 0.76
HPGD P15428 5/20 0.76
GLA P06280 2/20 0.76
GAA P10253 2/20 0.76
ATM Q13315 2/20 0.61
GFER P55789 2/20 0.61
RXFP1 Q9HBX9 2/20 0.61
TP53 P04637 4/20 0.55
HSD17B10 Q99714 4/20 0.55
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51

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
SCHEMBL4147179 0.90 NPC1 (0.81) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL23387567 0.90 NPC1 (0.59) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL2247467 0.87 RAB9A (0.76) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL5655662 0.86 NPC1 (0.86) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL2245075 0.86 RAB9A (1.00) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL28292707 0.85 RAB9A (0.96) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL2491134 0.84 RAB9A (0.96) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL2582851 0.84 NPC1 (0.63) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL2582987 0.84 ESR2 (0.76) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL2587833 0.84 HDAC6 (0.60) NPC1RAB9AMAPTMEN1KMT2A

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 6 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
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
WO-2023081854-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 WO disclosed
WO-2021226519-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 WO disclosed
WO-2021226517-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 WO 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 1106/4885RAB9A 1430/4885MAPT 3962/4885
US-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR NPC1 1175/4885RAB9A 1375/4885MAPT 3999/4885

“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.