SCHEMBL3465476

SCHEMBL3465476

NC(=O)[CH]c1cncc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HTT P42858 4/20 0.41
ALOX15 P16050 1/20 0.41
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
ROCK2 O75116 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37
ROCK1 Q13464 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMYD3 Q9H7B4 1/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
CASP3 P42574 1/20 0.35
PADI4 Q9UM07 1/20 0.34

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
SCHEMBL3464901 0.78 KDM4E (0.45) POLBHCAR2KDM4EHTTALOX15
SCHEMBL3464493 0.75 KDM4E (0.42) POLBHCAR2KDM4EHTTALOX15
SCHEMBL17686131 0.74 POLB (0.39) POLBHCAR2KDM4EHTTALOX15
SCHEMBL30639735 0.74
SCHEMBL102060 0.74
Formic Acid SCHEMBL31498917 0.73 POLB (0.44) POLBHCAR2KDM4EHTTALOX15
SCHEMBL746977 0.73 HCAR2 (0.48) POLBHCAR2KDM4EHTTALOX15
SCHEMBL746816 0.73 HCAR2 (0.48) POLBHCAR2KDM4EHTTALOX15
SCHEMBL9118435 0.72 GLA (0.44) POLBHCAR2KDM4EHTTALOX15
SCHEMBL17157644 0.72 POLB (0.43) POLBHCAR2KDM4EHTTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991985-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-06-13 EP disclosed
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-9181272-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-10 US disclosed
US-20140323468-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-30 US disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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 (3 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 POLB 2974/4885HCAR2 50/4885KDM4E 2535/4885
US-20140323468-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP21A2, REN POLB 2408/4885HCAR2 1452/4885KDM4E 2415/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 POLB 1195/4885HCAR2 216/4885KDM4E 4454/4885

“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.