SCHEMBL533949

SCHEMBL533949

COCC(F)(F)COCc1ccc(Br)cn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.35
SCN9A Q15858 7/20 0.33
KCNH2 Q12809 5/20 0.33
SCN5A Q14524 5/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MBOAT4 Q96T53 1/20 0.32
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
DGAT1 O75907 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
SCHEMBL1855342 0.77 GBA1 (0.46) GBA1ATMALDH1A1MBOAT4NPC1
SCHEMBL533909 0.76 IDO1 (0.41) ALDH1A1NPC1GAARAB9A
SCHEMBL2147686 0.76 GBA1 (0.40) GBA1ATMALDH1A1MBOAT4NPC1
SCHEMBL1816193 0.74 GBA1 (0.47) GBA1ATMALDH1A1MBOAT4NPC1
SCHEMBL12085800 0.72 GBA1 (0.35) GBA1ATMALDH1A1MBOAT4
SCHEMBL29548286 0.71 GBA1 (0.44) GBA1ATMALDH1A1MBOAT4NPC1
SCHEMBL6478582 0.69 GBA1 (0.39) GBA1ATMALDH1A1MBOAT4NPC1
SCHEMBL14659317 0.69 RAB9A (0.40) ATMALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14659458 0.68 GBA1 (0.37) GBA1ATMALDH1A1MBOAT4NPC1
SCHEMBL21911797 0.68 GBA1 (0.41) GBA1ALDH1A1

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-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 GBA1 1789/4885SCN9A 3360/4885KCNH2 1198/4885

“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.