Sugi Predict

Sugi Predict / Compounds / SCHEMBL1554959

SCHEMBL1554959

SCHEMBL1554959

COc1ccc[c]c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ HTT P42858 1/20 0.40
▸ PRMT1 Q99873 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ MAPT P10636 2/20 0.37
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL16960176 0.82 TDP1 (0.40) TDP1ALDH1A1L3MBTL1KDM4EKMT2A
SCHEMBL16950738 0.81 ALDH1A1 (0.36) TDP1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL11125245 0.81 ALDH1A1 (0.47) TDP1ALDH1A1L3MBTL1KDM4EKMT2A
SCHEMBL16959987 0.80 NPC1 (0.46) TDP1ALDH1A1KMT2AMEN1HTT
SCHEMBL16960533 0.79 KMT2A (0.35) TDP1ALDH1A1L3MBTL1POLBKMT2A
SCHEMBL11099165 0.78 NPC1 (0.44) TDP1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL29070977 0.78 CYP19A1 (0.46) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL28419502 0.77 TLR4 (0.46) TDP1ALDH1A1L3MBTL1KDM4EKMT2A
SCHEMBL8072962 0.77 AKR1C3 (0.34) TDP1ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL11355167 0.77 NPC1 (0.42) ALDH1A1L3MBTL1POLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111690026-A Avermectin aminophosphonate compound, preparation method thereof and application thereof in pesticides 兰州大学 2020-09-22 — — CN claimed
US-8916711-B2 Imidazothiazole-chalcone derivatives as potential anticancer agents and process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2014-12-23 — — US claimed
EP-2488533-B1 IMIDAZOTHIAZOLE-CHALCONE DERIVATIVES AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2014-07-23 — — EP claimed
US-20120271054-A1 IMIDAZOTHIAZOLE-CHALCONE DERIVATIVES AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2012-10-25 — — US claimed
EP-2488533-A1 IMIDAZOTHIAZOLE-CHALCONE DERIVATIVES AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2012-08-22 — — EP claimed
WO-2011045646-A1 IMIDAZOTHIAZOLE-CHALCONE DERIVATIVES AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-04-21 — — WO claimed
US-20070287726-A1 5-Substituted 1H-Pyrrolo [3,2-B] Pyridines ALTANA PHARMA AG (DE) 2007-12-13 — — US claimed
EP-1776361-A1 5-SUBSTITUTED 1H-PYRROLOÝ3,2-B¨PYRIDINES Altana Pharma AG (DE) 2007-04-25 — — EP claimed
WO-2006013195-A1 5-SUBSTITUTED 1H-PYRROLO[3,2-B]PYRIDINES ALTANA PHARMA AG (DE) 2006-02-09 — — WO claimed
US-6884815-B1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2005-04-26 — — US claimed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 — — WO claimed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 — — WO claimed
EP-0651737-B1 O-BENZYL OXIME ETHER DERIVATIVES AND THEIR USE AS PESTICIDES CIBA GEIGY AG (CH) 1998-07-29 — — EP claimed
EP-0835242-A1 THIOAMIDES S-OXIDES FOR USE AS PESTICIDES Novartis AG (CH) 1998-04-15 — — EP claimed
WO-1997000859-A1 THIOAMIDES S-OXIDES FOR USE AS PESTICIDES NOVARTIS AG (CH) 1997-01-09 — — WO claimed
WO-1996006072-A1 OXIME ETHERS AND THEIR USE AS PESTICIDES CIBA-GEIGY AG (CH) 1996-02-29 — — WO claimed
EP-0651737-A1 O-BENZYL OXIME ETHER DERIVATIVES AND THEIR USE AS PESTICIDES Novartis AG (CH) 1995-05-10 — — EP claimed
WO-1994026700-A1 O-BENZYL OXIME ETHER DERIVATIVES AND THEIR USE AS PESTICIDES CIBA-GEIGY AG (CH) 1994-11-24 — — WO claimed
EP-0034743-B1 BENZOXAZOLES, THEIR PREPARATION AND THEIR USE AS MEDICINES Dr. Karl Thomae GmbH (DE) 1984-05-30 — — EP claimed
US-4010162-A Substituted phenanthroline pigments ALLIED CHEMICAL CORPORATION (US) 1977-03-01 — — US 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 (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-20070287726-A1 5-Substituted 1H-Pyrrolo [3,2-B] Pyridines GIPR, VIP, PGC TDP1 4580/4885ALDH1A1 777/4885L3MBTL1 4524/4885
US-20120271054-A1 IMIDAZOTHIAZOLE-CHALCONE DERIVATIVES AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF EIF4A1, CYP2C18, UGT2B17 TDP1 4118/4885ALDH1A1 450/4885L3MBTL1 4197/4885

“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.