SCHEMBL27223333

SCHEMBL27223333

O=[N+]([O-])c1cccc(Nc2nc(NC3CCCCC3)c3ccccc3n2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 10/20 0.68
CTSL P07711 1/20 0.62
CTSB P07858 1/20 0.62
CTSS P25774 1/20 0.62
CTSK P43235 1/20 0.62
MERTK Q12866 5/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
GSK3A P49840 1/20 0.59
GSK3B P49841 1/20 0.59
BLM P54132 1/20 0.59
CDK5 Q00535 1/20 0.59
ATM Q13315 1/20 0.59
CDK5R1 Q15078 1/20 0.59
NPY5R Q15761 1/20 0.57
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GLA P06280 1/20 0.56
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56

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
SCHEMBL27224044 0.83 MERTK (0.81) MERTKKMT2AMEN1GSK3AGSK3B
SCHEMBL30896201 0.82 MERTK (0.65) CTSLCTSSCTSKMERTKNPY5R
SCHEMBL27223511 0.82 MERTK (0.75) ABCG2MERTKKMT2AMEN1NPY5R
SCHEMBL30896246 0.82 MERTK (0.65) ABCG2MERTKNPY5RPDE5A
SCHEMBL27224015 0.82 MERTK (0.65) ABCG2MERTKNPY5RPDE5A
SCHEMBL27223336 0.82 MERTK (0.65) CTSLCTSSCTSKMERTKNPY5R
SCHEMBL14256629 0.80 ABCG2 (0.98) ABCG2KMT2AMEN1ALDH1A1POLB
SCHEMBL27224013 0.80 PDE5A (0.64) MERTKNPY5RPDE5A
SCHEMBL24649757 0.79 MERTK (0.64) ABCG2MERTKNPY5RPOLB
SCHEMBL30896191 0.79 MERTK (0.64) ABCG2MERTKNPY5RPOLB

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-20240166626-A1 Compounds and Methods for Preventing, Treating, or Ameliorating Airway Disease UNIV JEFFERSON (US) 2024-05-23 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-20240166626-A1 Compounds and Methods for Preventing, Treating, or Ameliorating Airway Disease ADRB2, ADRB1, ADRB3 ABCG2 1632/4885CTSL 2632/4885CTSB 1470/4885

“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.