SCHEMBL25525861

SCHEMBL25525861

C[N+](C)(C)CCC[n+]1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 3/20 0.41
HTT P42858 3/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
CHKA P35790 6/20 0.40
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37

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 SCHEMBL25227366 0.98 MAPT (0.41) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
Bromide SCHEMBL25227369 0.98 CHKA (0.42) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25525855 0.88 MEN1 (0.42) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
Bromide SCHEMBL25241723 0.87 MEN1 (0.41) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
Bromide SCHEMBL25241722 0.87 MEN1 (0.41) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25525849 0.84 TP53 (0.39) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25525880 0.84 ESR1 (0.32) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
Bromide SCHEMBL25208106 0.83 ESR1 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
Bromide SCHEMBL25233563 0.83 CHRM2 (0.32) CHKACHRM2CHRM4CHRM5CHRM1
Bromide SCHEMBL25266768 0.83 TP53 (0.38) MAPTCYP1A2CYP2D6CYP2C9CYP2C19

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 MAPT 1864/4885CYP1A2 3109/4885CYP2D6 2914/4885

“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.