SCHEMBL13563333

SCHEMBL13563333

CCc1ccc(-c2nnco2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.63
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
MAPT P10636 4/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 3/20 0.54
KDM4E B2RXH2 2/20 0.54
HTT P42858 2/20 0.54
TP53 P04637 3/20 0.54
TLR8 Q9NR97 1/20 0.50
HPGD P15428 4/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 2/20 0.49
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL17694561 0.83 NOTUM (0.78) NOTUMMAPTALDH1A1LMNAKDM4E
SCHEMBL1824828 0.82 NOTUM (0.56) NOTUMNPC1RAB9AMAPTALDH1A1
SCHEMBL2610163 0.81 NOTUM (0.75) NOTUMMAPTALDH1A1LMNAKDM4E
SCHEMBL27687736 0.81 NOTUM (0.58) NOTUMNPC1RAB9AMAPTALDH1A1
SCHEMBL6385026 0.81 NOTUM (0.58) NOTUMNPC1RAB9AMAPTALDH1A1
SCHEMBL27510411 0.81 NOTUM (0.58) NOTUMNPC1RAB9AMAPTALDH1A1
SCHEMBL30139291 0.80 NOTUM (0.58) NOTUMNPC1RAB9AMAPTALDH1A1
SCHEMBL6852556 0.78 NOTUM (0.55) NOTUMNPC1RAB9AMAPTALDH1A1
SCHEMBL3537328 0.78 NOTUM (1.00) NOTUMNPC1RAB9AMAPTALDH1A1
SCHEMBL20906426 0.77 NOTUM (0.53) NOTUMNPC1RAB9AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023122212-A2 SUBSTITUTED PHENYL ETHYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS SOUTHERN RESEARCH INSTITUTE (US) 2023-06-29 WO disclosed
US-10781183-B2 Small molecule inducers of reactive oxygen species and inhibitors of mitochondrial activity THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-09-22 US disclosed
US-20190308942-A1 SMALL MOLECULE INDUCERS OF REACTIVE OXYGEN SPECIES AND INHIBITORS OF MITOCHONDRIAL ACTIVITY THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-10-10 US disclosed
US-10364267-B2 Deuterated bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-07-30 US disclosed
US-10208081-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-02-19 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-10-26 US disclosed
WO-2017155991-A1 SMALL MOLECULE INDUCERS OF REACTIVE OXYGEN SPECIES AND INHIBITORS OF MITOCHONDRIAL ACTIVITY THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-09-14 WO disclosed
US-20170240585-A1 DEUTERATED BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2017-08-24 US disclosed
US-20120277236-A1 METHOD FOR INHIBITING MMP-9 DIMERIZATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
CN-102161646-A Stilbene derivative with 1,3,4-oxadiazole and preparation method and application thereof UNIV SOUTH CHINA TECH 2011-08-24 CN disclosed
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN 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 (8 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-20120277236-A1 METHOD FOR INHIBITING MMP-9 DIMERIZATION MMP9, MMP10, MMP2 NOTUM 1462/4885NPC1 3367/4885RAB9A 230/4885
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE GRIN2A, GRIN2C, GRIN2B NOTUM 2968/4885NPC1 959/4885RAB9A 1511/4885
US-20190308942-A1 SMALL MOLECULE INDUCERS OF REACTIVE OXYGEN SPECIES AND INHIBITORS OF MITOCHONDRIAL ACTIVITY SQOR, MAVS, TFAM NOTUM 3163/4885NPC1 3235/4885RAB9A 865/4885
US-10208081-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 NOTUM 1072/4885NPC1 23/4885RAB9A 1748/4885
US-10364267-B2 Deuterated bile acid derivatives as FXR/TGR5 agonists and methods of use thereof NR1H4, GPBAR1, SLC10A1 NOTUM 804/4885NPC1 41/4885RAB9A 1729/4885
US-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 NOTUM 1496/4885NPC1 230/4885RAB9A 679/4885
US-20170240585-A1 DEUTERATED BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF NR1H4, GPBAR1, SLC10A1 NOTUM 804/4885NPC1 41/4885RAB9A 1729/4885
US-10781183-B2 Small molecule inducers of reactive oxygen species and inhibitors of mitochondrial activity SQOR, MAVS, TFAM NOTUM 3163/4885NPC1 3235/4885RAB9A 865/4885

“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.