SCHEMBL13727293

SCHEMBL13727293

CCSCc1cncc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.45
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CASP3 P42574 2/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALOX15 P16050 2/20 0.33
TACR1 P25103 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 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
SCHEMBL3713705 0.80 HTT (0.38) PKMHTTSMN1; SMN2MAPTPOLB
SCHEMBL670394 0.77
SCHEMBL30895742 0.77
SCHEMBL23963738 0.77 CASP3 (0.35) PKMHTTSMN1; SMN2MAPTPOLB
SCHEMBL1502596 0.75 KMT2A (0.57) PKMHTTSMN1; SMN2MAPTPOLB
SCHEMBL1502754 0.75 CASP3 (0.42) PKMHTTSMN1; SMN2MAPTPOLB
SCHEMBL21535264 0.74 PKM (0.40) PKMHTTSMN1; SMN2MAPTPOLB
SCHEMBL17048233 0.74 HTT (0.42) PKMHTTSMN1; SMN2MAPTPOLB
SCHEMBL10682400 0.73 HTT (0.43) PKMHTTSMN1; SMN2MAPTPOLB
SCHEMBL31614849 0.73 CYP11B1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3124475-B1 QUINAZOLINES AS POTASSIUM ION CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-07 EP disclosed
EP-2701512-B1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2017-04-05 EP disclosed
EP-2701512-B1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2017-04-05 EP disclosed
EP-3124475-A1 QUINAZOLINES AS POTASSIUM ION CHANNEL INHIBITORS Bristol-Myers Squibb Company (US) 2017-02-01 EP disclosed
US-9073929-B2 Aldosterone synthase inhibitors ELEXOPHARM GMBH (DE) 2015-07-07 US disclosed
US-9073929-B2 Aldosterone synthase inhibitors ELEXOPHARM GMBH (DE) 2015-07-07 US disclosed
US-9073929-B2 Aldosterone synthase inhibitors ELEXOPHARM GMBH (DE) 2015-07-07 US disclosed
EP-2701512-A1 ALDOSTERONE SYNTHASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-03-05 EP disclosed
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS ELEXOPHARM GMBH (DE) 2014-02-13 US disclosed
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS ELEXOPHARM GMBH (DE) 2014-02-13 US disclosed
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS ELEXOPHARM GMBH (DE) 2014-02-13 US disclosed
WO-2012148808-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-11-01 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-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP17A1, HSD11B1 PKM 1389/4885HTT 4672/4885SMN1; SMN2 4750/4885

“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.