SCHEMBL17686131

SCHEMBL17686131

NC(=O)C1([CH]c2cncc(Br)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
HCAR2 Q8TDS4 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HTT P42858 4/20 0.34
ALOX15 P16050 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
PADI4 Q9UM07 1/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 3/20 0.33
ROCK2 O75116 1/20 0.31
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31
ROCK1 Q13464 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 2/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL13358969 0.76 HSD17B3 (0.47) POLBALDH1A1MEN1KMT2ATDP1
SCHEMBL3465476 0.74 POLB (0.47) POLBHCAR2KDM4EHTTALOX15
SCHEMBL3464901 0.69 KDM4E (0.45) POLBHCAR2KDM4EHTTALOX15
SCHEMBL16196153 0.69 CYP11B2 (0.45) POLBHCAR2KDM4EHTTALOX15
SCHEMBL19127378 0.68 MAPT (0.45) KDM4EHTTALDH1A1RAB9AGAA
SCHEMBL19127372 0.67 MAPT (0.44) KDM4EHTTALDH1A1RAB9AGAA
SCHEMBL3665958 0.67 MAPT (0.44) KDM4EHTTALDH1A1RAB9AGAA
SCHEMBL3464493 0.67 KDM4E (0.42) POLBHCAR2KDM4EHTTALOX15
SCHEMBL30639735 0.66
SCHEMBL102060 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745289-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-08-29 US disclosed
EP-3207039-A1 ALDOSTERONE SYNTHASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2017-08-23 EP disclosed
WO-2016061161-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-21 WO disclosed
US-20160108026-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-21 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-20160108026-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, HSD11B1 POLB 2559/4885HCAR2 1367/4885KDM4E 3144/4885

“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.