SCHEMBL2458618

SCHEMBL2458618

COc1ccc(-c2cc(C)n(C(n3nc(-c4ccc(OC)cc4)cc3C)n3nc(-c4ccc(OC)cc4)cc3C)n2)cc1.Cc1cc(-c2ccccn2)nn1C(n1nc(-c2ccccn2)cc1C)n1nc(-c2ccccn2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
DCTPP1 Q9H773 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PTGS2 P35354 2/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HSP90AA1 P07900 1/20 0.44
PKM P14618 1/20 0.44
TGFBR1 P36897 3/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
THRB P10828 1/20 0.43
KDR P35968 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
NPY5R Q15761 1/20 0.41

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
SCHEMBL4985175 0.87 NPC1 (0.54) MAPTHSD17B10NPC1RAB9APKM
SCHEMBL4985605 0.85 PTGS2 (0.49) MAPTHSD17B10PTGS2NPC1RAB9A
SCHEMBL913393 0.76 CYP19A1 (0.64) MAPTDCTPP1NPSR1HSD17B10NPC1
SCHEMBL29496947 0.76 CYP19A1 (0.64) MAPTDCTPP1NPSR1HSD17B10NPC1
SCHEMBL2458919 0.74 RAB9A (0.49) MAPTHSD17B10PTGS2NPC1RAB9A
SCHEMBL13458064 0.74 CYP19A1 (0.62) MAPTDCTPP1NPSR1HSD17B10NPC1
SCHEMBL2454595 0.71 SMN1; SMN2 (0.49) MAPTPTGS2NPC1RAB9AL3MBTL1
SCHEMBL22142572 0.71 TGFBR1 (0.59) MAPTDCTPP1NPSR1HSD17B10NPC1
SCHEMBL31260432 0.71 NPC1 (0.57) NPC1RAB9AL3MBTL1HSP90AA1PKM
SCHEMBL7454751 0.71 NPC1 (0.57) NPC1RAB9AL3MBTL1HSP90AA1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2371831-B1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND NIPPON SODA CO (JP) 2016-09-07 EP disclosed
US-8871970-B2 Process for producing organolithium compound and process for producing substituted aromatic compound NIPPON SODA CO., LTD. (JP) 2014-10-28 US disclosed
EP-2371831-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND Nippon Soda Co., Ltd. (JP) 2011-10-05 EP disclosed
US-20110224457-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND NIPPON SODA CO., LTD. 2011-09-15 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-20110224457-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND C9, TRPA1, PKD1 MAPT 2105/4885DCTPP1 3659/4885NPSR1 2410/4885

“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.