SCHEMBL1706701

SCHEMBL1706701

COc1c(-c2coc(C(=O)O)c2)cccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.42
TPMT P51580 1/20 0.41
GPR35 Q9HC97 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39

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
SCHEMBL1706278 0.80 KDM4E (0.38) ALDH1A1MAPTKDM4ETSHRTUBB4A
SCHEMBL30641919 0.80 TPMT (0.55) ALDH1A1MAPTTSHRTPMTTUBB4A
SCHEMBL1705873 0.79 TPMT (0.50) ALDH1A1MAPTTSHRTPMTTUBB4A
SCHEMBL1705814 0.79 ALDH1A1 (0.62) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2409428 0.78 TPMT (0.49) ALDH1A1MAPTTSHRTPMTTUBB4A
SCHEMBL7803368 0.77 TDP1 (0.62) ALDH1A1TSHRMEN1KMT2ATUBB4A
SCHEMBL3361213 0.76 TPMT (0.44) ALDH1A1TSHRTPMTTUBB4ATUBB
SCHEMBL1705942 0.76 EIF4E (0.43) ALDH1A1MAPTTSHRTPMTTUBB4A
SCHEMBL25161887 0.75 TDP1 (0.55) ALDH1A1MAPTTSHRGPR35KMT2A
SCHEMBL521662 0.74 TSHR (0.68) ALDH1A1MAPTKDM4ETSHRTPMT

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 27 patents — showing the first 20. 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
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
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-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-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-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-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
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
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
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 (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-20100316601-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF THPO, MPL, TEK ALDH1A1 1911/4885MAPT 2604/4885KDM4E 4149/4885
US-20140140953-A1 SALTS OF BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION METHOD AND USE THEREOF THPO, MPL, TEK ALDH1A1 2072/4885MAPT 3465/4885KDM4E 4321/4885
US-20120164102-A1 SALTS OF BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION METHOD AND USE THEREOF THPO, MPL, TEK ALDH1A1 2072/4885MAPT 3465/4885KDM4E 4321/4885

“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.