SCHEMBL30828593

SCHEMBL30828593

O=C(Nc1ccc(Nc2ccccn2)cc1)c1ccc(C(=O)Nc2ccc(Nc3ccccn3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.70
RAB9A P51151 4/20 0.70
USP2 O75604 1/20 0.63
TP53 P04637 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
F2 P00734 1/20 0.56
DNMT1 P26358 1/20 0.56
DNMT3L Q9UJW3 1/20 0.56
DNMT3A Q9Y6K1 1/20 0.56
NAMPT P43490 1/20 0.55
POLB P06746 1/20 0.54
TRPV1 Q8NER1 2/20 0.53
CHRNB2 P17787 1/20 0.53
CHRNB4 P30926 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA4 P43681 1/20 0.53

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
SCHEMBL4872174 0.83 HCAR3 (0.63) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10837371 0.82 ROCK1 (0.59) NPC1RAB9AMEN1KMT2A
SCHEMBL4876776 0.82 NPC1 (0.53) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12964984 0.81 NPC1 (0.76) NPC1RAB9AUSP2TP53SMN1; SMN2
SCHEMBL2839657 0.80 ITGB3 (0.57) NPC1RAB9AUSP2TP53SMN1; SMN2
SCHEMBL2835959 0.80 CHRNB2 (0.47) NPC1RAB9AUSP2TP53SMN1; SMN2
SCHEMBL6093171 0.79 NPC1 (0.68) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL27548451 0.79 RAB9A (0.71) NPC1RAB9AUSP2TP53SMN1; SMN2
SCHEMBL18094521 0.79 MPL (0.62) NPC1RAB9AMEN1KMT2A
SCHEMBL997866 0.78 RAB9A (0.89) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS SAINT LOUIS UNIVERSITY (US) 2024-04-11 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-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS ABCC1, ARG1, SLC11A2 NPC1 2211/4885RAB9A 1510/4885USP2 2384/4885

“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.