SCHEMBL2454726

SCHEMBL2454726

Cc1ccc(-c2ccn(C(n3ccc(-c4ccc(C)cc4)n3)n3ccc(-c4ccc(C)cc4)n3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.43
RAB9A P51151 9/20 0.43
SMN1; SMN2 Q16637 8/20 0.43
KMT2A Q03164 8/20 0.43
MEN1 O00255 6/20 0.43
MAPT P10636 5/20 0.43
TP53 P04637 4/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
KEAP1 Q14145 1/20 0.41
ALDH1A1 P00352 7/20 0.40
LMNA P02545 3/20 0.40
STAT1 P42224 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 5/20 0.39
MITF O75030 2/20 0.39
KDM5A P29375 1/20 0.39

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
SCHEMBL2765018 0.93 SMN1; SMN2 (0.39) NPC1RAB9ASMN1; SMN2KMT2AMEN1
Butadiene SCHEMBL2764841 0.90 KMT2A (0.37) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL2609419 0.86 DYRK1A (0.45) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL2453561 0.79 KMT2A (0.57) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL12319225 0.77 KEAP1 (0.67) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL11624300 0.74 SCN4A (0.40) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL2766811 0.73 KMT2A (0.50) NPC1RAB9ASMN1; SMN2KMT2AMEN1
Methane SCHEMBL4981122 0.71 NPC1 (0.42) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL3791987 0.71 KEAP1 (0.44) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL12777941 0.69 SCN4A (0.51) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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 4100/4885SMN1; SMN2 3774/4885
US-20110224457-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND C9, TRPA1, PKD1 NPC1 382/4885RAB9A 2993/4885SMN1; SMN2 4349/4885
US-20150025276-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND C9, TRPA1, PKD1 NPC1 382/4885RAB9A 2993/4885SMN1; SMN2 4349/4885

“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.