SCHEMBL3797459

SCHEMBL3797459

CCCc1cccc2ccsc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.43
CYP2A6 P11509 1/20 0.43
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
CYP19A1 P11511 2/20 0.38
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HTR2B P41595 1/20 0.34
GRM5 P41594 1/20 0.33
BRD4 O60885 1/20 0.33
PDE4A P27815 4/20 0.33
PDE4B Q07343 4/20 0.33
PDE4C Q08493 4/20 0.33
PDE4D Q08499 4/20 0.33
PDE3B Q13370 3/20 0.33

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
SCHEMBL3791475 0.89 DAO (0.41) DAOCYP2A6HTR2AHTR2CCYP19A1
SCHEMBL2610672 0.84 CYP2A6 (0.50) DAOCYP2A6HTR2AHTR2CCYP19A1
SCHEMBL11005622 0.81 DAO (0.43) DAOCYP2A6HTR2AHTR2CCYP19A1
SCHEMBL8504667 0.80 HTR2A (0.48) DAOCYP2A6HTR2AHTR2CCYP19A1
SCHEMBL3625379 0.78 CYP19A1 (0.48) DAOCYP2A6HTR2AHTR2CCYP19A1
SCHEMBL2097238 0.77 DAO (0.40) DAOCYP2A6HTR2AHTR2CCYP19A1
SCHEMBL3154995 0.76 CYP2A6 (0.46) DAOCYP2A6HTR2AHTR2CCYP19A1
SCHEMBL113854 0.76 CYP2A6 (0.46) DAOCYP2A6HTR2AHTR2CCYP19A1
SCHEMBL12432195 0.76 CYP2A6 (0.46) DAOCYP2A6HTR2AHTR2CCYP19A1
SCHEMBL3056444 0.76 CYP2A6 (0.46) DAOCYP2A6HTR2AHTR2CCYP19A1

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
US-11492352-B2 Arenavirus growth inhibitor comprising polycyclic carbamoylpyridone derivative NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2022-11-08 US disclosed
US-20210292321-A1 ARENAVIRUS GROWTH INHIBITOR COMPRISING POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2021-09-23 US disclosed
EP-3815689-A1 ARENAVIRUS GROWTH INHIBITOR COMPRISING POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE National University Corporation Hokkaido University (JP) 2021-05-05 EP disclosed
US-10544419-B2 PDGF and VEGF aptamers having improved stability and their use in treating PDGF and VEGF mediated diseases and disorders SOMALOGIC INC. (US) 2020-01-28 US disclosed
US-9994857-B2 PDGF and VEGF aptamers having improved stability and their use in treating PDGF and VEGF mediated diseases and disorders SOMALOGIC, INC. (US) 2018-06-12 US disclosed
US-20170260531-A1 Aptamers to PDGF and VEGF and Their Use in Treating PDGF and VEGF Mediated Conditions SOMALOGIC OPERATING CO. INC. 2017-09-14 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-7645400-B2 Composition containing carbon nanotubes having a coating MITSUBISHI RAYON CO., LTD. (JP) 2010-01-12 US disclosed
US-20090321688-A1 Carbon Nanotube Composition, Composite Having a Coated Film Composed of the Same, and Their Production Methods MITSUBISHI RAYON CO., LTD. (JP) 2009-12-31 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 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-11492352-B2 Arenavirus growth inhibitor comprising polycyclic carbamoylpyridone derivative LUC7L2, CXCR6, RRP12 DAO 3243/4885CYP2A6 1210/4885HTR2A 3531/4885
US-20210292321-A1 ARENAVIRUS GROWTH INHIBITOR COMPRISING POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE CCNA1, CDK7, CCR10 DAO 3085/4885CYP2A6 1040/4885HTR2A 3479/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK DAO 1167/4885CYP2A6 1003/4885HTR2A 3280/4885

“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.