SCHEMBL16972859

SCHEMBL16972859

O=[N+]([O-])c1ccc(Br)cc1NCC1CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.52
▸ MAPT P10636 7/20 0.47
▸ ATM Q13315 1/20 0.47
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPK1 P28482 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HTT P42858 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ALOX12 P18054 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PRKCQ Q04759 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 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
SCHEMBL1528590 0.93 MAPT (0.47) PTGER4MAPTATMGLAGAA
SCHEMBL16035315 0.92 PTGER4 (0.45) PTGER4MAPTATMMAPK1ALDH1A1
SCHEMBL31243355 0.88 PTGER4 (0.43) PTGER4MAPTATMGLAGAA
SCHEMBL2184870 0.88 PTGER4 (0.56) PTGER4MAPTATMMAPK1ALDH1A1
SCHEMBL16042619 0.86 PTGER4 (0.41) PTGER4MAPTATMGLAGAA
SCHEMBL16042621 0.86 PTGER4 (0.41) PTGER4MAPTATMGLAGAA
SCHEMBL31714319 0.85 MAPT (0.39) PTGER4MAPTATMGLAGAA
SCHEMBL22527782 0.83 MAPT (0.55) MAPTGAAMAPK1ALDH1A1HTT
SCHEMBL29392033 0.83 MAPT (0.55) MAPTGAAMAPK1ALDH1A1HTT
SCHEMBL31259117 0.83 MAPT (0.51) PTGER4MAPTATMMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 — — US disclosed
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 — — US disclosed
US-20180289718-A1 FUSED IMIDAZOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2018-10-11 — — US disclosed
US-10016439-B2 Fused imidazole compounds ONO PHARMACEUTICAL CO., LTD. (JP) 2018-07-10 — — US disclosed
CN-107106561-A Heparan sulfate biosynthesis inhibitor for treating disease 生物马林药物股份有限公司 2017-08-29 — — CN disclosed
EP-3204009-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2017-08-16 — — EP disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 — — WO disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 — — WO disclosed
EP-3099672-A1 FUSED IMIDAZOLE COMPOUNDS ONO Pharmaceutical Co., Ltd. (JP) 2016-12-07 — — EP disclosed
US-20160331757-A1 FUSED IMIDAZOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2016-11-17 — — US disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 — — WO disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 — — WO disclosed
WO-2015115673-A1 FUSED IMIDAZOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2015-08-06 — — WO 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-20180289718-A1 FUSED IMIDAZOLE COMPOUNDS GABRA5, CHRNA5, GABRP PTGER4 1479/4885MAPT 106/4885ATM 3544/4885
US-20160331757-A1 FUSED IMIDAZOLE COMPOUNDS GABRA5, CHRNA5, GABRP PTGER4 1479/4885MAPT 106/4885ATM 3544/4885
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 PTGER4 2900/4885MAPT 3263/4885ATM 4093/4885
US-10016439-B2 Fused imidazole compounds GABRA5, CHRNA5, GABRP PTGER4 1479/4885MAPT 106/4885ATM 3544/4885

“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.

Send feedback