SCHEMBL1385665

SCHEMBL1385665

O=C(CO)NCc1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.61
RAB9A P51151 1/20 0.61
HTT P42858 2/20 0.58
PLA2G1B P04054 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ATG4B Q9Y4P1 1/20 0.58
P2RX7 Q99572 1/20 0.54
APEX1 P27695 1/20 0.53
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
F7 P08709 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
SCHEMBL7162443 0.87 PKM (0.56) HTTALDH1A1KMT2AMEN1HPGD
SCHEMBL24499496 0.86 NPC1 (0.61) NPC1RAB9AHTTPLA2G1BL3MBTL1
SCHEMBL29625240 0.86 NPC1 (0.61) NPC1RAB9AHTTPLA2G1BL3MBTL1
SCHEMBL1385664 0.86 NPC1 (0.61) NPC1RAB9AHTTPLA2G1BL3MBTL1
SCHEMBL4034877 0.86 ALDH1A1 (0.63) NPC1RAB9AHTTPLA2G1BL3MBTL1
SCHEMBL6361162 0.85 NPC1 (0.59) NPC1RAB9AHTTPLA2G1BL3MBTL1
SCHEMBL30259909 0.85 NPC1 (0.59) NPC1RAB9AHTTPLA2G1BL3MBTL1
SCHEMBL4079701 0.85 SMN1; SMN2 (0.65) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL6290134 0.85 NPC1 (0.59) NPC1RAB9AHTTPLA2G1BL3MBTL1
SCHEMBL11863114 0.84 SMN1; SMN2 (0.57) NPC1RAB9AHTTPLA2G1BL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4838121-B2 2011-12-14 JP claimed
EP-1641764-B1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2011-07-27 EP claimed
EP-2298743-A1 5-membered heterocycle-based P38 kinase inhibitors Novartis AG (CH) 2011-03-23 EP claimed
JP-2007521278-A 2007-08-02 JP claimed
EP-1641764-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS Novartis AG (CH) 2006-04-05 EP claimed
US-20050049288-A1 5-MEMBERED HETEROCYCLE-BASED p38 KINASE INHIBITORS MEREO BIOPHARMA 1 LIMINTED (GB) 2005-03-03 US claimed
WO-2005009973-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2005-02-03 WO claimed
US-6867200-B1 (Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-15 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 (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-20050049288-A1 5-MEMBERED HETEROCYCLE-BASED p38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 NPC1 1136/4885RAB9A 1157/4885HTT 3182/4885

“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.