SCHEMBL533909

SCHEMBL533909

COCC(F)(F)COCc1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
ALDH1A1 P00352 3/20 0.39
MAOB P27338 3/20 0.38
APP P05067 1/20 0.35
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
SMPD1 P17405 1/20 0.34
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL10263826 0.84 ALDH1A1 (0.40) IDO1ALDH1A1PTPN2PTPN1PTPN6
SCHEMBL7871499 0.82 TSHR (0.50) IDO1ALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL533965 0.82 IDO1 (0.38) IDO1ALDH1A1MAOBAPPPTPN2
SCHEMBL10202406 0.81 APP (0.41) IDO1ALDH1A1APPPTPN2PTPN1
SCHEMBL534894 0.81 ALDH1A1 (0.44) IDO1ALDH1A1MAOBAPPPTPN2
SCHEMBL23454355 0.80 ALDH1A1 (0.58) IDO1ALDH1A1MAOBAPPPTPN2
SCHEMBL533927 0.79 IDO1 (0.39) IDO1ALDH1A1MAOBAPPPTPN2
SCHEMBL533949 0.76 GBA1 (0.35) ALDH1A1NPC1GAARAB9A
SCHEMBL9366824 0.76 IDO1 (0.48) IDO1ALDH1A1MAOBAPPPTPN2
SCHEMBL4661955 0.74 IDO1 (0.50) IDO1ALDH1A1MAOBAPPMAPT

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 IDO1 3324/4885ALDH1A1 900/4885MAOB 1712/4885

“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.