SCHEMBL25525849

SCHEMBL25525849

COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3cc[n+](CCC[N+](C)(C)C)cc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
CHRM2 P08172 3/20 0.35
CHRM1 P11229 3/20 0.35
CHRM3 P20309 3/20 0.35
CHRM4 P08173 2/20 0.35
CHRM5 P08912 2/20 0.35
MAPK1 P28482 1/20 0.35

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
Bromide SCHEMBL25266768 0.99 TP53 (0.38) TP53MAPTMEN1CYP1A2CYP2D6
Bromide SCHEMBL25207278 0.99 TP53 (0.38) TP53MAPTMEN1CYP1A2CYP2D6
SCHEMBL25525889 0.85 CRHR1 (0.31)
Bromide SCHEMBL25229945 0.84 CHRM2 (0.31) CHRM2CHRM1CHRM3CHRM4CHRM5
Bromide SCHEMBL25229944 0.84 CRHR1 (0.30)
SCHEMBL25525855 0.84 MEN1 (0.42) TP53MAPTMEN1CYP1A2CYP2D6
SCHEMBL25525861 0.84 MAPT (0.42) TP53MAPTMEN1CYP1A2CYP2D6
Bromide SCHEMBL25227369 0.83 CHKA (0.42) TP53MAPTMEN1CYP1A2CYP2D6
Bromide SCHEMBL25241722 0.83 MEN1 (0.41) TP53MAPTMEN1CYP1A2CYP2D6
Bromide SCHEMBL25227366 0.83 MAPT (0.41) TP53MAPTMEN1CYP1A2CYP2D6

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-20230165978-A1 Composition and A Method For Diagnosing And Treating Bacterial Infection Hong Kong Centre for Cerebro-Cardiovascular Health Engineering Limited (HK) 2023-06-01 US disclosed
US-20230165978-A1 Composition and A Method For Diagnosing And Treating Bacterial Infection Hong Kong Centre for Cerebro-Cardiovascular Health Engineering Limited (HK) 2023-06-01 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-20230165978-A1 Composition and A Method For Diagnosing And Treating Bacterial Infection NOD2, PYCARD, NOD1 TP53 3002/4885MAPT 1864/4885MEN1 4616/4885

“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.