SCHEMBL2994486

SCHEMBL2994486

COC(=O)Nc1ccc(NC(=O)C(N)Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
HDAC8 Q9BY41 1/20 0.54
ROCK2 O75116 1/20 0.54
ROCK1 Q13464 1/20 0.54
AAK1 Q2M2I8 1/20 0.53
LTA4H P09960 5/20 0.52
HPGD P15428 1/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
CIT O14578 1/20 0.51

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
SCHEMBL2994483 1.00 BACE1 (0.57) BACE1SMN1; SMN2NPC1RAB9AHDAC8
SCHEMBL24514045 0.88 LNPEP (0.50) BACE1SMN1; SMN2NPC1RAB9AHDAC8
SCHEMBL6665555 0.87 KMT2A (0.65) BACE1SMN1; SMN2RAB9AHDAC8ROCK2
SCHEMBL30452307 0.87 KMT2A (0.65) BACE1SMN1; SMN2RAB9AHDAC8ROCK2
SCHEMBL5158075 0.87 BACE1 (0.53) BACE1NPC1RAB9AHDAC8ROCK2
SCHEMBL5158068 0.87 BACE1 (0.53) BACE1NPC1RAB9AHDAC8ROCK2
SCHEMBL2312372 0.86 BACE1 (0.63) BACE1NPC1RAB9AHDAC8LTA4H
SCHEMBL28279157 0.86 BACE1 (0.63) BACE1NPC1RAB9AHDAC8LTA4H
SCHEMBL2312361 0.86 BACE1 (0.63) BACE1NPC1RAB9AHDAC8LTA4H
SCHEMBL23466750 0.86 RAB9A (0.60) BACE1SMN1; SMN2NPC1RAB9AHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152664-B1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-09-03 EP disclosed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 US disclosed
EP-2152664-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS Brystol-Myers Squibb Company (US) 2010-02-17 EP disclosed
WO-2008157162-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-24 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-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 BACE1 641/4885SMN1; SMN2 3808/4885NPC1 2862/4885

“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.