Sugi Predict

Sugi Predict / Compounds / SCHEMBL1447280

SCHEMBL1447280

SCHEMBL1447280

COc1ccc(C(=O)O)c([N+](=O)[O-])c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.56
▸ TDP1 Q9NUW8 3/20 0.56
▸ MAPT P10636 3/20 0.56
▸ KDM4E B2RXH2 3/20 0.53
▸ POLB P06746 1/20 0.53
▸ CTDSP1 Q9GZU7 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ CDK2 P24941 1/20 0.48
▸ MAPK1 P28482 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PIM1 P11309 1/20 0.43
▸ TSHR P16473 1/20 0.42

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
SCHEMBL14495072 0.89 KDM4E (0.51) PKMTDP1MAPTKDM4EPOLB
SCHEMBL728962 0.87 KDM4E (0.50) PKMTDP1MAPTKDM4EPOLB
SCHEMBL5898858 0.85 MAPT (0.67) PKMTDP1MAPTKDM4EPOLB
SCHEMBL30105934 0.83 PKM (0.69) PKMTDP1MAPTKDM4EPOLB
SCHEMBL7847617 0.83 PKM (0.65) PKMTDP1MAPTKDM4EPOLB
SCHEMBL8683506 0.83 PKM (0.56) PKMTDP1MAPTKDM4EPOLB
SCHEMBL621983 0.83 PKM (0.69) PKMTDP1MAPTKDM4EPOLB
SCHEMBL27366749 0.83 PKM (0.56) PKMTDP1MAPTKDM4EPOLB
SCHEMBL1554733 0.83 KDM4E (0.61) PKMTDP1MAPTKDM4EPOLB
SCHEMBL14495071 0.83 HPGDS (0.51) PKMTDP1MAPTKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111302945-B Preparation method of 3-hydroxy-4-methoxy-2-nitrobenzoic acid 上海再启生物技术有限公司 2023-06-13 — — CN claimed
CN-111302945-A Preparation method of 3-hydroxy-4-methoxy-2-nitrobenzoic acid 上海再启生物技术有限公司 2020-06-19 — — CN claimed
CN-111302945-B Preparation method of 3-hydroxy-4-methoxy-2-nitrobenzoic acid 上海再启生物技术有限公司 2023-06-13 — — CN disclosed
CN-111302945-B Preparation method of 3-hydroxy-4-methoxy-2-nitrobenzoic acid 上海再启生物技术有限公司 2023-06-13 — — CN disclosed
CN-111302945-B Preparation method of 3-hydroxy-4-methoxy-2-nitrobenzoic acid 上海再启生物技术有限公司 2023-06-13 — — CN disclosed
US-20220388999-A1 NITROCATECHOL DERIVATIVES AS COMT INHIBITORS BIAL PORTELA & CA SA (PT) 2022-12-08 — — US disclosed
CN-111302945-A Preparation method of 3-hydroxy-4-methoxy-2-nitrobenzoic acid 上海再启生物技术有限公司 2020-06-19 — — CN disclosed
CN-111302945-A Preparation method of 3-hydroxy-4-methoxy-2-nitrobenzoic acid 上海再启生物技术有限公司 2020-06-19 — — CN disclosed
CN-111302945-A Preparation method of 3-hydroxy-4-methoxy-2-nitrobenzoic acid 上海再启生物技术有限公司 2020-06-19 — — CN disclosed
US-20200102295-A1 NITROCATECHOL DERIVATIVES AS COMT INHIBITORS BIAL - PORTELA & CA, S.A. (PT) 2020-04-02 — — US disclosed
US-10336740-B2 Nitrocatechol derivatives as COMT inhibitors BIAL—PORTELA & CA, S.A. (PT) 2019-07-02 — — US disclosed
US-8907099-B2 Nitrocatechol derivatives as COMT inhibitors BIAL-PORTELA & CA, S.A. (PT) 2014-12-09 — — US disclosed
US-20120196904-A1 NITROCATECHOL DERIVATIVES AS COMT INHIBITORS PORTELA & CA., S.A. (PT) 2012-08-02 — — US disclosed
US-8168793-B2 Nitrocatechol derivatives as COMT inhibitors PORTELA & CA., S.A. (PT) 2012-05-01 — — US disclosed
EP-2301934-A1 Nitrocatechol derivatives as COMT inhibitors BIAL - Portela & Ca., S.A. (PT) 2011-03-30 — — EP disclosed
US-20090054437-A1 Nitrocatechol Derivatives as Comt Inhibitors PORTELA & CA., S.A. (PT) 2009-02-26 — — US disclosed
EP-1907382-A1 NITROCATECHOL DERIVATIVES AS COMT INHIBITORS Portela & C.A. S.A (PT) 2008-04-09 — — EP disclosed
WO-2007013830-A1 NITROCATECHOL DERIVATIVES AS COMT INHIBITORS PORTELA & CA. S.A. (PT) 2007-02-01 — — WO disclosed
US-4239683-A ANTITUMOR THE GREEN CROSS CORPORATION (JP) 1980-12-16 — — US disclosed
US-4185016-A ANTITUMOR AGENTS THE GREEN CROSS CORPORATION (JP) 1980-01-22 — — 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 (5 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-20220388999-A1 NITROCATECHOL DERIVATIVES AS COMT INHIBITORS COMT, PNMT, OPRK1 PKM 1981/4885TDP1 105/4885MAPT 664/4885
US-20090054437-A1 Nitrocatechol Derivatives as Comt Inhibitors COMT, PNMT, OPRK1 PKM 2014/4885TDP1 94/4885MAPT 694/4885
US-10336740-B2 Nitrocatechol derivatives as COMT inhibitors COMT, PNMT, OPRK1 PKM 2014/4885TDP1 94/4885MAPT 694/4885
US-20200102295-A1 NITROCATECHOL DERIVATIVES AS COMT INHIBITORS COMT, PNMT, OPRK1 PKM 1981/4885TDP1 105/4885MAPT 664/4885
US-20120196904-A1 NITROCATECHOL DERIVATIVES AS COMT INHIBITORS COMT, PNMT, OPRK1 PKM 2014/4885TDP1 94/4885MAPT 694/4885

“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.