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SCHEMBL13619432

SCHEMBL13619432

CCSc1ccc(NC(=O)CCCc2ccc(Br)cc2)cc1CN(C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36

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
SCHEMBL13631368 0.90 NPC1 (0.38) NPC1RAB9AALDH1A1MAPTALOX15
SCHEMBL3866341 0.87 MEN1 (0.44) NPC1RAB9AALDH1A1MAPTALOX15
SCHEMBL13683207 0.87 MEN1 (0.42) NPC1RAB9AALDH1A1MAPTALOX15
SCHEMBL8233817 0.86 NPC1 (0.39) NPC1RAB9AALDH1A1MAPTALOX15
SCHEMBL13631867 0.85 NPC1 (0.38) NPC1RAB9AALDH1A1MAPTALOX15
SCHEMBL13331075 0.83 NPC1 (0.37) NPC1RAB9AALDH1A1MAPTALOX15
SCHEMBL13631868 0.82 LMNA (0.34) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL13619450 0.80 AAK1 (0.35) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL14418537 0.79 LMNA (0.36) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL3861468 0.77 NPC1 (0.38) NPC1RAB9AALDH1A1MAPTALOX15

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
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 — — US disclosed
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 — — US disclosed
US-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 — — US disclosed
US-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 — — US disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 — — US 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 (2 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-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 NPC1 3227/4885RAB9A 572/4885ALDH1A1 4184/4885
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 NPC1 3227/4885RAB9A 572/4885ALDH1A1 4184/4885

“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.