SCHEMBL534894

SCHEMBL534894

OCC(F)(F)COCc1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
IDO1 P14902 2/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
CHRM3 P20309 2/20 0.37
MAPT P10636 1/20 0.37
APP P05067 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
MAOB P27338 3/20 0.35
KMT2A Q03164 1/20 0.35
GBA1 P04062 2/20 0.34
LCT P09848 2/20 0.34
UGCG Q16739 2/20 0.34
GBA2 Q9HCG7 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 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
SCHEMBL9276198 0.81 KDM4E (0.62) ALDH1A1IDO1KDM4EPOLBGBA1
SCHEMBL23454355 0.81 ALDH1A1 (0.58) ALDH1A1IDO1PTPN2PTPN1PTPN6
SCHEMBL533909 0.81 IDO1 (0.41) ALDH1A1IDO1KDM4EPTPN2PTPN1
SCHEMBL533965 0.77 IDO1 (0.38) ALDH1A1IDO1PTPN2PTPN1PTPN6
SCHEMBL11648 0.75 TAAR1 (0.37) ALDH1A1IDO1PTPN2PTPN1KMT2A
SCHEMBL533927 0.73 IDO1 (0.39) ALDH1A1IDO1KDM4EPTPN2PTPN1
SCHEMBL9342895 0.73 IDO1 (0.64) IDO1KDM4EAPPRXRARXRB
SCHEMBL649020 0.73 IDO1 (0.64) IDO1KDM4EAPPRXRARXRB
SCHEMBL9366824 0.73 IDO1 (0.48) ALDH1A1IDO1KDM4EPOLBPTPN2
SCHEMBL21824144 0.72 IDO1 (0.52) IDO1KDM4EAPPRXRARXRB

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 ALDH1A1 900/4885IDO1 3324/4885KDM4E 2653/4885

“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.