SCHEMBL1706347

SCHEMBL1706347

CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)c1ccc2c(c1)C(C)(C)C=C2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
AKT1 P31749 3/20 0.32
KCNQ4 P56696 1/20 0.30
KCNQ5 Q9NR82 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 0.79 RXRA (0.34) KDM4ENPC1MAPTRAB9AAKT1
SCHEMBL3515054 0.77 GHSR (0.36) KDM4ENPC1MAPTRAB9AAKT1
SCHEMBL3361228 0.76 GAA (0.38) KDM4ENPC1MAPTRAB9AAKT1
SCHEMBL12987017 0.75 MT-CO2 (0.38) KDM4ENPC1MAPTRAB9AAKT1
SCHEMBL31472213 0.75 MT-CO2 (0.38) KDM4ENPC1MAPTRAB9AAKT1
SCHEMBL3361225 0.75 AKT1 (0.33) KDM4ENPC1MAPTRAB9AAKT1
SCHEMBL28420950 0.73 MIF (0.46) KDM4ENPC1MAPTRAB9AAKT1
SCHEMBL10565261 0.72 NOX1 (0.46) KDM4ENPC1MAPTRAB9AAKT1
SCHEMBL14108121 0.72 RAB9A (0.41) NPC1MAPTRAB9AAKT1
SCHEMBL4199655 0.72 CA12 (0.38) KDM4ENPC1MAPTRAB9AAKT1

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 7 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
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-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-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
EP-2441457-A1 SALTS OF BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION METHOD AND USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2012-04-18 EP disclosed
EP-2236500-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2010-10-06 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 (2 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-20140140953-A1 SALTS OF BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION METHOD AND USE THEREOF THPO, MPL, TEK KDM4E 4321/4885NPC1 4311/4885MAPT 3465/4885
US-20120164102-A1 SALTS OF BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION METHOD AND USE THEREOF THPO, MPL, TEK KDM4E 4321/4885NPC1 4311/4885MAPT 3465/4885

“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.