SCHEMBL13435285

SCHEMBL13435285

Cn1cc(CNC(=O)CBr)nn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.40
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
NOTUM Q6P988 1/20 0.37
ADORA1 P30542 1/20 0.36
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
MIF P14174 4/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
ENPP2 Q13822 1/20 0.33
NTRK1 P04629 1/20 0.33

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
SCHEMBL13435235 0.85 GLS (0.41) KCNJ1BRD4BRD2NOTUMMIF
SCHEMBL16579400 0.81 NOTUM (0.52) KCNJ1BRD4BRD2NOTUMMIF
SCHEMBL17107883 0.81 TERT (0.41) KCNJ1BRD4BRD2NOTUMFNTA
SCHEMBL17133298 0.81 MALT1 (0.43) KCNJ1BRD4BRD2NOTUMMIF
SCHEMBL15336482 0.80 KCNJ1 (0.41) KCNJ1BRD4BRD2NOTUMMIF
SCHEMBL21424267 0.79 EPHX2 (0.48)
SCHEMBL13872481 0.77 KCNJ1 (0.56) KCNJ1BRD4MIFSMN1; SMN2
SCHEMBL22917015 0.77 KCNJ1 (0.40) KCNJ1
SCHEMBL17107880 0.77 WNT1 (0.46) HTT
Acetic Acid SCHEMBL29055697 0.77 MCL1 (0.46) KCNJ1BRD4BRD2NOTUMFNTA

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-20100069607-A1 METHOD OF COVALENTLY LINKING A CARBOHYDRATE OR POLYALKYLENE OXIDE TO A PEPTIDE, PRECURSORS FOR USE IN THE METHOD AND RESULTANT PRODUCTS UCL BUSINESS PLC (GB) 2010-03-18 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-20100069607-A1 METHOD OF COVALENTLY LINKING A CARBOHYDRATE OR POLYALKYLENE OXIDE TO A PEPTIDE, PRECURSORS FOR USE IN THE METHOD AND RESULTANT PRODUCTS MSR1, C9, ADM2 KCNJ1 3366/4885BRD4 4245/4885BRD2 3951/4885

“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.