SCHEMBL9828121

SCHEMBL9828121

CC(=O)OCc1cccc2cccnc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 3/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
MMP2 P08253 2/20 0.46
MMP9 P14780 1/20 0.46
ADAM17 P78536 1/20 0.46
HDAC6 Q9UBN7 2/20 0.46
PARP1 P09874 1/20 0.45
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRM1 P11229 1/20 0.43

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
SCHEMBL28707626 0.87 MMP2 (0.48) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL19765218 0.86 KDM4E (0.48) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL28479085 0.84 PARP1 (0.53) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL29405049 0.84 MMP2 (0.46) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL28707627 0.83 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL27696507 0.81 MMP2 (0.44) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL7344773 0.81 POLB (0.47) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL19036261 0.80 HDAC6 (0.50) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL4231195 0.79 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10PARP1
SCHEMBL3145084 0.78 RAB9A (0.53) MEN1KMT2AKDM4EALDH1A1HPGD

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
EP-3227018-B1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS UNIV VIRGINIA COMMONWEALTH (US) 2021-06-30 EP disclosed
EP-3227018-B1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS UNIV VIRGINIA COMMONWEALTH (US) 2021-06-30 EP disclosed
US-10202378-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-12 US disclosed
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts VIRGINIA COMMONWEALTH UNIVERSITY (US) 2018-06-19 US disclosed
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts VIRGINIA COMMONWEALTH UNIVERSITY (US) 2018-06-19 US disclosed
US-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS VIRGINIA COMMONWEALTH UNIVERSITY 2017-12-21 US disclosed
US-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS VIRGINIA COMMONWEALTH UNIVERSITY 2017-12-21 US disclosed
EP-3227018-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS Virginia Commonwealth University (US) 2017-10-11 EP disclosed
WO-2016123391-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-08-04 WO disclosed
EP-0239129-B1 HYDROQUINOLINE COMPOUNDS, COMPOSITIONS CONTAINING SAME AND PROCESSES FOR PREPARING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-09-25 EP disclosed
US-4963566-A ANTIULCER AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-10-16 US disclosed
EP-0239129-A2 Hydroquinoline compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-30 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 (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-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS WASF2, SCO2, SOD1 MEN1 4070/4885KMT2A 561/4885KDM4E 2360/4885
US-10202378-B2 Therapeutic compounds and uses thereof TAF1, TAF1L, TAF1B MEN1 1152/4885KMT2A 3169/4885KDM4E 2669/4885
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts WASF2, SOD1, CD274 MEN1 3985/4885KMT2A 538/4885KDM4E 2245/4885

“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.