SCHEMBL30828596

SCHEMBL30828596

O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(-c2ccc(C(=O)Nc3ccc(N4CCCCC4)cc3)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.78
NPC1 O15118 9/20 0.78
SMN1; SMN2 Q16637 7/20 0.78
TP53 P04637 3/20 0.78
ALOX15 P16050 3/20 0.78
MAPK1 P28482 1/20 0.78
HTT P42858 1/20 0.78
MAPT P10636 9/20 0.78
PKM P14618 1/20 0.78
NFKB1 P19838 1/20 0.78
NFKB2 Q00653 1/20 0.78
RELA Q04206 1/20 0.78
KMT2A Q03164 7/20 0.76
USP2 O75604 4/20 0.76
MCL1 Q07820 3/20 0.76
MEN1 O00255 3/20 0.76
KDM4E B2RXH2 2/20 0.76
LMNA P02545 2/20 0.76
L3MBTL1 Q9Y468 1/20 0.76
ALDH1A1 P00352 5/20 0.70

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
SCHEMBL8769429 0.91 RAB9A (0.78) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8769840 0.89 RAB9A (0.78) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8770201 0.89 RAB9A (0.78) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL18470910 0.88 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL3142490 0.88 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL2354022 0.88 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL4251987 0.86 RAB9A (0.85) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8292347 0.84 MAPT (0.97) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL13856556 0.82 MAPT (1.00) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL1663394 0.81 MAPT (0.69) RAB9ANPC1SMN1; SMN2TP53ALOX15

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 RAB9A 1510/4885NPC1 2211/4885SMN1; SMN2 4605/4885

“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.