SCHEMBL2454824

SCHEMBL2454824

COc1ccc(-c2ccn(C(n3ccc(-c4ccc(OC)cc4)n3)n3ccc(-c4ccc(OC)cc4)n3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.48
RAB9A P51151 9/20 0.48
KDM4E B2RXH2 7/20 0.48
MAPT P10636 6/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
ALDH1A1 P00352 6/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
PKM P14618 2/20 0.43
EPHX2 P34913 1/20 0.43
SCN4A P35499 1/20 0.42
HPGD P15428 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
CYP19A1 P11511 1/20 0.41
ALDH1A3 P47895 1/20 0.41
POLB P06746 2/20 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
SCHEMBL12777942 0.88 NPC1 (0.47) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL3451021 0.79 SCN4A (0.64) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL2454726 0.79 NPC1 (0.43) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL5648447 0.76 NPC1 (0.49) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL28138784 0.76 NPC1 (0.49) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL28127681 0.76 NPC1 (0.49) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL2453561 0.75 KMT2A (0.57) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL16751889 0.75 ALDH1A1 (0.49) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL6028194 0.75 ALDH1A1 (0.44) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL6027895 0.74 MAPT (0.44) NPC1RAB9AKDM4EMAPTSMN1; SMN2

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 10 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-9133098-B2 Process for producing organolithium compound and process for producing substituted aromatic compound NIPPON SODA CO., LTD. (JP) 2015-09-15 US disclosed
US-20150025276-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND NIPPON SODA CO., LTD. (JP) 2015-01-22 US 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
US-7368516-B2 Catalyst for trimerization of ethylene and process for trimerizing ethylene using the catalyst TOSOH CORPORATION (JP) 2008-05-06 US disclosed
US-20050187419-A1 Catalyst for trimerization of ethylene and process for trimerizing ethylene using the catalyst TOSOH CORPORATION (JP) 2005-08-25 US disclosed
US-6900152-B2 Catalyst for trimerization of ethylene and process for trimerizing ethylene using the catalyst TOSOH CORPORATION (JP) 2005-05-31 US disclosed
US-20020035029-A1 Catalyst for trimerization of ethylene and process for trimerizing ethylene using the catalyst TOSOH CORPORATION (JP) 2002-03-21 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 (3 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-20050187419-A1 Catalyst for trimerization of ethylene and process for trimerizing ethylene using the catalyst ACMSD, TAF9, ETV6 NPC1 3818/4885RAB9A 4100/4885KDM4E 2297/4885
US-20110224457-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND C9, TRPA1, PKD1 NPC1 382/4885RAB9A 2993/4885KDM4E 4107/4885
US-20150025276-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND C9, TRPA1, PKD1 NPC1 382/4885RAB9A 2993/4885KDM4E 4107/4885

“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.