Sugi Predict

Sugi Predict / Compounds / SCHEMBL2839286

SCHEMBL2839286

SCHEMBL2839286

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 1/20 0.53
▸ MAPT P10636 6/20 0.51
▸ ALDH1A1 P00352 6/20 0.51
▸ AKR1C3 P42330 4/20 0.51
▸ AKR1C2 P52895 4/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ MAPK1 P28482 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ THRB P10828 1/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MITF O75030 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ CCR6 P51684 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL404510 0.87 MAPT (0.51) KCNMA1MAPTALDH1A1AKR1C3AKR1C2
SCHEMBL1632528 0.85 ALDH1A1 (0.57) MAPTALDH1A1AKR1C3AKR1C2KDM4E
SCHEMBL147187 0.85 AKR1C3 (0.63) MAPTALDH1A1AKR1C3AKR1C2KDM4E
SCHEMBL1571262 0.84 AKR1C3 (0.54) MAPTALDH1A1AKR1C3AKR1C2KDM4E
Hydrochloric Acid SCHEMBL11773334 0.84 AKR1C3 (0.61) MAPTALDH1A1AKR1C3AKR1C2KDM4E
SCHEMBL1567614 0.84 NPC1 (0.53) MAPTALDH1A1AKR1C3AKR1C2KDM4E
SCHEMBL28187519 0.84 ABCB1 (0.49) KCNMA1MAPTALDH1A1KDM4EMAPK1
SCHEMBL22065392 0.81 ALDH1A1 (0.52) MAPTALDH1A1AKR1C3AKR1C2KDM4E
SCHEMBL22749356 0.81 AKR1C3 (0.52) MAPTALDH1A1AKR1C3AKR1C2KDM4E
SCHEMBL12326835 0.81 ALDH1A1 (0.50) MAPTALDH1A1AKR1C3AKR1C2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016122325-A1 METHODS FOR PROVIDING INTERMEDIATES IN THE SYNTHESIS OF ATORVASTATIN. RIJKSUNIVERSITEIT GRONINGEN (NL) 2016-08-04 — — WO disclosed
EP-2510925-B1 Small-Molecule modulators of TRP-P8 activity DENDREON CORP (US) 2016-07-20 — — EP disclosed
US-8618155-B2 Small-molecule modulators of Trp-p8 activity DENDREON CORPORATION (US) 2013-12-31 — — US disclosed
US-8614243-B2 Small-molecule modulators of Trp-p8 activity DENDREON CORPORATION (US) 2013-12-24 — — US disclosed
US-8575185-B2 Compositions, synthesis, and methods of utilizing quinazolinedione derivatives REVIVA PHARMACEUTICALS, INC. (US) 2013-11-05 — — US disclosed
US-8575185-B2 Compositions, synthesis, and methods of utilizing quinazolinedione derivatives REVIVA PHARMACEUTICALS, INC. (US) 2013-11-05 — — US disclosed
US-8575185-B2 Compositions, synthesis, and methods of utilizing quinazolinedione derivatives REVIVA PHARMACEUTICALS, INC. (US) 2013-11-05 — — US disclosed
EP-2510925-A2 Small-Molecule modulators of TRP-P8 activity DENDREON CORPORATION (US) 2012-10-17 — — EP disclosed
US-20120225871-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2012-09-06 — — US disclosed
US-20100222359-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING QUINAZOLINEDIONE DERIVATIVES REVIVA PHARMACEUTICALS, INC. 2010-09-02 — — US disclosed
EP-1881001-A1 HCV NS-3 serine protease inhibitors Tibotec Pharmaceuticals Ltd. (IE) 2008-01-23 — — EP disclosed
EP-1881002-A1 HCV NS-3 serine protease inhibitors Tibotec Pharmaceuticals Ltd. (IE) 2008-01-23 — — EP disclosed
US-20070232603-A1 Small-molecule modulators of TRP-P8 activity DENDREON CORPORATION (US) 2007-10-04 — — US disclosed
WO-2007095340-A2 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2007-08-23 — — WO disclosed
WO-2007017144-A2 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS MEDIVIR AB (SE) 2007-02-15 — — WO disclosed
WO-2007014927-A2 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 — — WO disclosed
CN-1893941-A Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC (JP) 2007-01-10 — — CN disclosed
CN-1623984-A Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC (JP) 2005-06-08 — — CN disclosed
CN-1167680-C fused ring compound and pharmaceutical use thereof �ձ��̲ݲ�ҵ��ʽ���� 2004-09-22 — — CN disclosed
CN-1342145-A fused ring compound and pharmaceutical use thereof JAPAN TOBACCO INC (JP) 2002-03-27 — — CN 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-20100222359-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING QUINAZOLINEDIONE DERIVATIVES GRIN2D, GRIK5, GRIK4 KCNMA1 1656/4885MAPT 194/4885ALDH1A1 1115/4885
US-20070232603-A1 Small-molecule modulators of TRP-P8 activity TRPC4, TRPC3, TRPC1 KCNMA1 439/4885MAPT 3585/4885ALDH1A1 4789/4885
US-20120225871-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 KCNMA1 439/4885MAPT 3585/4885ALDH1A1 4789/4885

“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.