SCHEMBL26698570

SCHEMBL26698570

O=[N+]([O-])c1cn2c(n1)OC[C@H](Oc1ccc(OC(F)(F)F)cc1)C2

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.76
KCNH2 Q12809 4/20 0.52
PTGS1 P23219 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
FPR2 P25090 3/20 0.35
PROKR1 Q8TCW9 2/20 0.35
EPHX2 P34913 6/20 0.33
FAAH O00519 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MITF O75030 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SCN9A Q15858 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
AADAC P22760 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
CASP3 P42574 1/20 0.32

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
SCHEMBL507802 0.97 CHRM1 (0.72) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL13358956 0.87 CHRM1 (0.79) CHRM1KCNH2PTGS1SLC6A2SLC6A4
Pretomanid SCHEMBL2983011 0.87 CHRM1 (1.00) CHRM1KCNH2PTGS1SLC6A2SLC6A4
Pretomanid SCHEMBL14004006 0.87 CHRM1 (1.00) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL508066 0.84 CHRM1 (0.94) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL507542 0.84 CHRM1 (0.94) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL1160458 0.84 CHRM1 (0.94) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL1227110 0.83 CHRM1 (0.68) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL1227767 0.83 CHRM1 (0.68) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL1229184 0.83 CHRM1 (0.68) CHRM1KCNH2PTGS1SLC6A2SLC6A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12251372-B2 Antileishmanial compounds, compositions and use thereof TRUSTEES OF BOSTON UNIVERSITY 2025-03-18 US disclosed
US-20230381142-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2023-11-30 US disclosed
WO-2023230217-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2023-11-30 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-20230381142-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF MPO, SSB, SGMS2 CHRM1 3109/4885KCNH2 3964/4885PTGS1 1334/4885
US-12251372-B2 Antileishmanial compounds, compositions and use thereof MPO, SSB, SGMS2 CHRM1 3109/4885KCNH2 3964/4885PTGS1 1334/4885

“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.