SCHEMBL7008972

SCHEMBL7008972

c1ccc(Oc2ccc(-n3cccn3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.56
NPC1 O15118 1/20 0.53
GLA P06280 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
LTA4H P09960 4/20 0.44
TSHR P16473 1/20 0.44
MGLL Q99685 1/20 0.44
HDAC4 P56524 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ICAM1 P05362 1/20 0.41
SELE P16581 1/20 0.41
VCAM1 P19320 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
SCHEMBL5962918 0.87 NOTUM (0.55) NOTUMNPC1GLARAB9ASMN1; SMN2
SCHEMBL14541930 0.86 NOTUM (0.53) NOTUMNPC1GLARAB9ASMN1; SMN2
Diphenylether SCHEMBL28989276 0.83 MAPK1 (0.51) NOTUMNPC1GLARAB9ASMN1; SMN2
SCHEMBL27250 0.82 NOTUM (0.65) NOTUMNPC1GLARAB9ASMN1; SMN2
SCHEMBL4341894 0.82 NOTUM (0.78) NOTUMNPC1KDM4EALDH1A1MAPK1
SCHEMBL7657790 0.80 NOTUM (0.51) NOTUMKDM4EALDH1A1MAPK1MEN1
SCHEMBL514704 0.80 NOTUM (0.63) NOTUMNPC1GLARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL15510676 0.80 NOTUM (0.63) NOTUMNPC1GLARAB9ASMN1; SMN2
SCHEMBL28493417 0.80 NOTUM (0.63) NOTUMNPC1GLARAB9ASMN1; SMN2
SCHEMBL6428811 0.80 NOTUM (0.63) NOTUMNPC1GLARAB9ASMN1; 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105732638-B A kind of bruton's tyrosine kinase inhibitor with loop coil or caged scaffold and preparation method thereof 成都倍特药业有限公司 2018-01-30 CN claimed
US-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES UNIV NORTH CAROLINA CHAPEL HILL (US) 2023-06-01 US disclosed
US-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES UNIV NORTH CAROLINA CHAPEL HILL (US) 2023-06-01 US disclosed
US-11584720-B2 Photoredox-catalyzed direct C-H functionalization of arenes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2023-02-21 US disclosed
US-10399947-B2 Photoredox-catalyzed direct C—H functionalization of arenes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2019-09-03 US disclosed
CN-107501270-B A kind of compound containing sulphonyl ethylene imine structure, pharmaceutical composition and its application 宏腾建设集团有限公司 2019-06-28 CN disclosed
US-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2018-05-31 US disclosed
US-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2018-05-31 US disclosed
CN-107501270-A A kind of compound containing sulphonyl ethylene imine structure, pharmaceutical composition and its application 南京宏腾建设工程有限公司 2017-12-22 CN disclosed
CN-106153797-B It is a kind of to replace Buddhist nun's preparation Related substance method according to Shandong for Buddhist nun and according to Shandong 北京睿创康泰医药研究院有限公司 2017-08-29 CN disclosed
CN-106153798-B It is a kind of to be used to analyze the purposes for doing reference standard about the HPLC methods and these impurity of material for Buddhist nun's preparation according to Shandong for Buddhist nun and according to Shandong 北京睿创康泰医药研究院有限公司 2017-08-29 CN disclosed
WO-2016196816-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2016-12-08 WO disclosed
CN-106083860-A A kind of synthesis and purifying process replacing Buddhist nun's intermediate according to Shandong 艾美科健(中国)生物医药有限公司 2016-11-09 CN disclosed
CN-105153154-A BTK (bruton tyrosine kinase) inhibitor and purpose of BTK inhibitor GUANGDONG HEC PHARMACEUTICAL 2015-12-16 CN disclosed
CN-1520298-A Pyrazolopyrimidines as therapeutic agents �����ʩ���عɷݹ�˾ 2004-08-11 CN disclosed
CN-1147492-C New metal protease inhibitors, its preparing method and their medicinal composition containing them ɪά��ʵ���� 2004-04-28 CN disclosed
EP-1065209-B1 Metalloprotease inhibitors, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-05-02 EP disclosed
CN-1390219-A Pyrazolopyrimidines as therapeutic agents ABBOTT AG (DE) 2003-01-08 CN disclosed
US-6339092-B1 FOR THERAPY RHEUMATOID ARTHRITIS, ARTHROSIS, TUMOUR INVASION AND GROWTH, INCLUDING MALIGNANT SPREAD AND THE FORMATION OF METASTASES, ULCERATIONS, ATHEROSCLEROSIS ADIR ET COMPAGNIE (FR) 2002-01-15 US disclosed
EP-1065209-A1 Metalloprotease inhibitors, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-01-03 EP 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 (4 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-11584720-B2 Photoredox-catalyzed direct C-H functionalization of arenes PPOX, AOC2, AOC3 NOTUM 3331/4885NPC1 1847/4885GLA 4069/4885
US-10399947-B2 Photoredox-catalyzed direct C—H functionalization of arenes PPOX, AOC2, AOC3 NOTUM 3386/4885NPC1 1903/4885GLA 4053/4885
US-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 NOTUM 3331/4885NPC1 1847/4885GLA 4069/4885
US-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 NOTUM 3331/4885NPC1 1847/4885GLA 4069/4885

“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.