SCHEMBL18603

SCHEMBL18603

O=[N+]([O-])c1[c]cc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 3/20 0.43
ACHE P22303 1/20 0.43
LMNA P02545 2/20 0.41
CES1 P23141 1/20 0.40
TSHR P16473 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 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
SCHEMBL193215 0.77 ALDH1A1 (0.43) ALDH1A1HSD17B10ACHELMNACES1
SCHEMBL6047839 0.76 MEN1 (0.34) ALDH1A1LMNA
SCHEMBL290002 0.76 ACHE (0.46) ALDH1A1HSD17B10ACHELMNATSHR
SCHEMBL6047845 0.76 TDP1 (0.32) ALDH1A1LMNATDP1
SCHEMBL1921008 0.76 ALDH1A1 (0.46) ALDH1A1HSD17B10LMNATSHRCA1
SCHEMBL2441755 0.76 ALDH1A1 (0.36) ALDH1A1LMNATSHRTDP1MAPT
SCHEMBL2040645 0.76 MAPK1 (0.41) ALDH1A1HSD17B10LMNATSHRTDP1
SCHEMBL2684523 0.76 ATM (0.41) ALDH1A1LMNATSHRTDP1MAPT
SCHEMBL193032 0.76 HSD17B10 (0.47) ALDH1A1HSD17B10ACHELMNACES1
SCHEMBL973063 0.76 ALDH1A1 (0.44) ALDH1A1HSD17B10ACHECES1TSHR

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 1427 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3201208-B1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2021-03-24 EP claimed
EP-3201207-B1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2021-02-24 EP claimed
EP-3201205-B1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2020-05-13 EP claimed
US-10640520-B2 Boronic acid derivatives MERCK PATENT GMBH (DE) 2020-05-05 US claimed
CN-108047178-B A series of new dihydro gibberellin and the preparation method and application thereof 中国农业大学 2019-09-27 CN claimed
US-10294246-B2 Substituted boronic acids and boronate esters as immunoproteasome inhibitors MERCK PATENT GMBH (DE) 2019-05-21 US claimed
EP-2814831-B1 NEW QUATERNARY AMMONIUM SALTS, METHOD FOR PREPARATION AND APPLICATIONS THEREOF UNIV MEDYCZNY IM KAROLA MARCINKOWSKIEGO (PL) 2018-08-01 EP claimed
US-20180179231-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2018-06-28 US claimed
CN-108047178-A A series of new dihydro gibberellin and preparation method and application 中国农业大学 2018-05-18 CN claimed
US-20180105538-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2018-04-19 US claimed
CN-1103866-A Nes pesticides RHONE POULENC AGRICULTURE (GB) 1995-06-21 CN claimed
EP-0634404-A1 Phtalazin derivatives and their use as pesticides RHONE POULENC AGRICULTURE LTD. (GB) 1995-01-18 EP claimed
EP-0422178-B1 PYRIMIDINE DERIVATIVES ZENECA LTD (GB) 1994-10-05 EP claimed
US-5332737-A Cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-07-26 US claimed
EP-0453197-B1 Amine derivatives ICI PLC (GB) 1994-06-15 EP claimed
CN-1024793-C Pyrimiding derivatives ICI PLC (GB) 1994-06-01 CN claimed
US-5223505-A PYRIMIDINE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-29 US claimed
EP-0453197-A1 Amine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-23 EP claimed
EP-0431856-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1991-06-12 EP claimed
CN-1047080-A Pyrimidine derivatives ICI PLC (GB) 1990-11-21 CN claimed

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-20180179231-A1 BORONIC ACID DERIVATIVES BCL9, BCL9L, BCL6 ALDH1A1 1217/4885HSD17B10 2801/4885ACHE 4648/4885
US-20180105538-A1 BORONIC ACID DERIVATIVES BCL9, BCL9L, BCL6 ALDH1A1 1217/4885HSD17B10 2801/4885ACHE 4648/4885
US-10640520-B2 Boronic acid derivatives BCL9, BCL9L, BCL6 ALDH1A1 1217/4885HSD17B10 2801/4885ACHE 4648/4885
US-10294246-B2 Substituted boronic acids and boronate esters as immunoproteasome inhibitors PSMB7, PSMA7, PSMB11 ALDH1A1 2896/4885HSD17B10 2729/4885ACHE 4022/4885

“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.