SCHEMBL744049

SCHEMBL744049

BrCCCCCCCc1cccnc1Br

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
SIRT2 Q8IXJ6 2/20 0.35
PARP1 P09874 1/20 0.35
HRH1 P35367 1/20 0.33
S1PR4 O95977 1/20 0.30
LIPG Q9Y5X9 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL742131 1.00 CYP11B1 (0.42) CYP11B1CYP11B2TRIM24TRIM33SIRT2
SCHEMBL27865425 0.84 CYP11B1 (0.47) CYP11B1CYP11B2TRIM24TRIM33PARP1
SCHEMBL601689 0.84 LIPG (0.47) CYP11B1CYP11B2LIPG
SCHEMBL11521698 0.84 LIPG (0.47) CYP11B1CYP11B2LIPG
SCHEMBL2184230 0.84 LIPG (0.47) CYP11B1CYP11B2LIPG
SCHEMBL5494445 0.84 LIPG (0.47) CYP11B1CYP11B2LIPG
SCHEMBL31575912 0.84 LIPG (0.47) CYP11B1CYP11B2LIPG
Water SCHEMBL28194264 0.82 LIPG (0.46) CYP11B1CYP11B2LIPG
SCHEMBL30950077 0.79 CYP11B1 (0.44) CYP11B1CYP11B2TRIM24TRIM33PARP1
SCHEMBL27938298 0.79 CYP11B1 (0.44) CYP11B1CYP11B2TRIM24TRIM33PARP1

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-20120123113-A1 DI-SUBSTITUTED PYRIDINUM POLYMERS AND SYNTHESIS THEREOF UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2012-05-17 US disclosed
EP-2430074-A1 DI-SUBSTITUTED PYRIDINIUM POLYMERS AND SYNTHESIS THEREOF University Court Of The University Of Aberdeen (GB) 2012-03-21 EP disclosed
WO-2010086652-A1 DI-SUBSTITUTED PYRIDINIUM POLYMERS AND SYNTHESIS THEREOF UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2010-08-05 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 (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-20120123113-A1 DI-SUBSTITUTED PYRIDINUM POLYMERS AND SYNTHESIS THEREOF PDXK, RAD54L, CDKL5 CYP11B1 4687/4885CYP11B2 4549/4885TRIM24 4054/4885

“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.