SCHEMBL3515054

SCHEMBL3515054

CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)c1ccc2c(c1)C(C)(C)CC2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.36
AKT1 P31749 2/20 0.32
MT-CO2 P00403 1/20 0.32
BACE1 P56817 2/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
NR1I3 Q14994 1/20 0.31
KDM1A O60341 1/20 0.30
DRD2 P14416 1/20 0.30
KCNQ4 P56696 1/20 0.30
KCNQ5 Q9NR82 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL3360468 0.83 RXRA (0.34) AKT1MT-CO2RXRARXRBRXRG
SCHEMBL31472213 0.83 MT-CO2 (0.38) GHSRAKT1MT-CO2RXRARXRB
SCHEMBL12987017 0.83 MT-CO2 (0.38) GHSRAKT1MT-CO2RXRARXRB
SCHEMBL3361228 0.81 GAA (0.38) GHSRAKT1MT-CO2KDM4ENPC1
SCHEMBL1706347 0.77 KDM4E (0.33) AKT1KDM4ENPC1MAPTRAB9A
SCHEMBL12988261 0.76 ACHE (0.34) NPC1RAB9ADRD2
SCHEMBL3361225 0.75 AKT1 (0.33) AKT1KDM4ENPC1MAPTRAB9A
SCHEMBL3360400 0.74 AKT1 (0.32) AKT1KDM4ENPC1MAPTRAB9A
SCHEMBL3360426 0.73 MTNR1A (0.37)
SCHEMBL28420950 0.73 MIF (0.46) AKT1KDM4ENPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120762-B2 Salts of bicyclo-substituted pyrazolon azo derivatives, preparation method and use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2015-09-01 US disclosed
US-9120762-B2 Salts of bicyclo-substituted pyrazolon azo derivatives, preparation method and use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2015-09-01 US disclosed
EP-2236500-B1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2014-12-24 EP disclosed
US-20140140953-A1 SALTS OF BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION METHOD AND USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2014-05-22 US disclosed
US-20140140953-A1 SALTS OF BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION METHOD AND USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2014-05-22 US disclosed
US-8642637-B2 Salts of bicyclo-substituted pyrazolon azo derivatives, preparation method and use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2014-02-04 US disclosed
US-8642637-B2 Salts of bicyclo-substituted pyrazolon azo derivatives, preparation method and use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2014-02-04 US disclosed
US-20130123507-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO. LTD. (CN) 2013-05-16 US disclosed
US-20130123507-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO. LTD. (CN) 2013-05-16 US disclosed
US-20130123507-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO. LTD. (CN) 2013-05-16 US disclosed
US-8367710-B2 Bicyclo-substituted pyrazolon azo derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2013-02-05 US disclosed
US-8367710-B2 Bicyclo-substituted pyrazolon azo derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2013-02-05 US disclosed
US-8367710-B2 Bicyclo-substituted pyrazolon azo derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2013-02-05 US disclosed
US-20120164102-A1 SALTS OF BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION METHOD AND USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-06-28 US disclosed
US-20120164102-A1 SALTS OF BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION METHOD AND USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-06-28 US disclosed
US-20100316601-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2010-12-16 US disclosed
US-20100316601-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2010-12-16 US disclosed
US-20100316601-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2010-12-16 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 (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-20130123507-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF THPO, MPL, TEK GHSR 387/4885AKT1 1944/4885MT-CO2 2428/4885
US-20100316601-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF THPO, MPL, TEK GHSR 387/4885AKT1 1944/4885MT-CO2 2428/4885
US-20140140953-A1 SALTS OF BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION METHOD AND USE THEREOF THPO, MPL, TEK GHSR 262/4885AKT1 1344/4885MT-CO2 1837/4885
US-20120164102-A1 SALTS OF BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION METHOD AND USE THEREOF THPO, MPL, TEK GHSR 262/4885AKT1 1344/4885MT-CO2 1837/4885

“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.