SCHEMBL534281

SCHEMBL534281

O=C1C[C@@H](c2cccc3[nH]cnc23)[C@H](c2ccc(Br)cc2Cl)C(=O)N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.37
QPCT Q16769 2/20 0.35
SLC6A3 Q01959 2/20 0.33
SLC6A2 P23975 1/20 0.33
CCKBR P32239 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
JAK2 O60674 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
PAK4 O96013 1/20 0.31
ABL1 P00519 1/20 0.31
CSF1R P07333 1/20 0.31

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
SCHEMBL534279 1.00 IDO1 (0.37) IDO1QPCTSLC6A3SLC6A2CCKBR
SCHEMBL534280 1.00 IDO1 (0.37) IDO1QPCTSLC6A3SLC6A2CCKBR
SCHEMBL556568 0.74 SLC6A4 (0.32) CCKBRMEN1KMT2APKM
SCHEMBL556570 0.74 SLC6A4 (0.32) CCKBRMEN1KMT2APKM
SCHEMBL556569 0.74 SLC6A4 (0.32) CCKBRMEN1KMT2APKM
SCHEMBL26438261 0.61 CRBN (0.50) IDO1DDB1CRBN
SCHEMBL30349444 0.61 CRBN (0.50) IDO1DDB1CRBN
SCHEMBL555812 0.61 MAPT (0.40) IDO1MEN1NPC1RAB9AKMT2A
SCHEMBL534462 0.61 MAPT (0.40) IDO1MEN1NPC1RAB9AKMT2A
SCHEMBL555813 0.61 MAPT (0.40) IDO1MEN1NPC1RAB9AKMT2A

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 3324/4885QPCT 1148/4885SLC6A3 1655/4885

“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.