SCHEMBL5202964

SCHEMBL5202964

CCOC(C)=NC(=O)c1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 1/20 0.46
CYP19A1 P11511 1/20 0.45
TSHR P16473 2/20 0.45
PARP1 P09874 1/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
OGG1 O15527 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
MAOB P27338 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL5204611 1.00 NPC1 (0.50) NPC1RAB9AKDM4EMAPK1CYP19A1
SCHEMBL18327182 1.00 NPC1 (0.50) NPC1RAB9AKDM4EMAPK1CYP19A1
SCHEMBL5205616 0.84 ELANE (0.45) RAB9AKDM4EMAPK1PARP1LMNA
SCHEMBL5206138 0.84 LMNA (0.52) NPC1RAB9ATSHRPARP1LMNA
SCHEMBL5205858 0.84 ELANE (0.45) RAB9AKDM4EMAPK1PARP1LMNA
SCHEMBL5206016 0.84 LMNA (0.52) NPC1RAB9ATSHRPARP1LMNA
SCHEMBL5201790 0.83 RXFP1 (0.47) NPC1RAB9AMAPK1LMNAL3MBTL1
SCHEMBL5205877 0.83 RXFP1 (0.47) NPC1RAB9AMAPK1LMNAL3MBTL1
SCHEMBL5203413 0.82 NPC1 (0.53) NPC1RAB9AKDM4EMAPK1TSHR
SCHEMBL5203419 0.82 NPC1 (0.53) NPC1RAB9AKDM4EMAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230105618-A1 IRIDIUM COMPLEX, LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2023-04-06 US disclosed
US-20200350503-A1 IRIDIUM COMPLEX, LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2020-11-05 US disclosed
US-20160372688-A1 IRIDIUM COMPLEX, LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-12-22 US disclosed
EP-1458706-B1 DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CJ CORP (KR) 2007-07-11 EP disclosed
US-7169929-B2 Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor CJ CORP. (KR) 2007-01-30 US disclosed
US-7135572-B2 Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor CJ CORP (KR) 2006-11-14 US disclosed
US-20060009495-A1 Diary 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor CJ CORP. (KR) 2006-01-12 US disclosed
EP-1458706-A4 DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CJ CORP (KR) 2005-06-08 EP disclosed
US-20050075373-A1 Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor CJ CORP. (KR) 2005-04-07 US disclosed
EP-1458706-A1 DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CJ Corp. (KR) 2004-09-22 EP disclosed
WO-2003055875-A1 DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CJ CORP. (KR) 2003-07-10 WO 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 (5 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-20060009495-A1 Diary 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor PTGS1, PTGS2, PTGES2 NPC1 4852/4885RAB9A 4647/4885KDM4E 1122/4885
US-20160372688-A1 IRIDIUM COMPLEX, LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE PPOX, EHD1, INTS9 NPC1 3520/4885RAB9A 3280/4885KDM4E 2698/4885
US-20200350503-A1 IRIDIUM COMPLEX, LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE PPOX, EHD1, INTS9 NPC1 3520/4885RAB9A 3280/4885KDM4E 2698/4885
US-20050075373-A1 Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor PTGS1, PTGS2, PTGES2 NPC1 4850/4885RAB9A 4686/4885KDM4E 1572/4885
US-20230105618-A1 IRIDIUM COMPLEX, LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE PPOX, EHD1, INTS9 NPC1 3520/4885RAB9A 3280/4885KDM4E 2698/4885

“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.