Sugi Predict

Sugi Predict / Compounds / SCHEMBL4873598

SCHEMBL4873598

SCHEMBL4873598

N=C(N)c1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 10/20 0.59
▸ MAPK1 P28482 2/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ GPR35 Q9HC97 1/20 0.55
▸ CA12 O43570 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ MAPT P10636 3/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ PRSS2 P07478 1/20 0.51
▸ PRSS3 P35030 1/20 0.51
▸ ALDH5A1 P51649 1/20 0.50

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
Hydrochloric Acid SCHEMBL13269367 0.98 PRSS1 (0.60) PRSS1MAPK1L3MBTL1ALOX15HSD17B10
SCHEMBL7329834 0.91 PRSS1 (0.56) PRSS1MAPK1L3MBTL1ALOX15HSD17B10
SCHEMBL764067 0.84 PARP1 (0.67) MAPK1L3MBTL1ALOX15HSD17B10ALDH1A1
SCHEMBL7384522 0.82 LMNA (0.67) PRSS1ALOX15ALDH1A1TSHRMAPT
SCHEMBL12857714 0.82 MAPK1 (0.55) MAPK1L3MBTL1ALOX15HSD17B10ALDH1A1
SCHEMBL469536 0.82 MAPK1 (0.58) MAPK1L3MBTL1ALOX15HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL2302788 0.81 LMNA (0.65) PRSS1ALOX15ALDH1A1TSHRMAPT
SCHEMBL7103159 0.79 VCAM1 (0.65) MAPK1L3MBTL1ALOX15HSD17B10ALDH1A1
SCHEMBL2156599 0.79 MAPK1 (0.60) MAPK1L3MBTL1ALOX15HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL9202510 0.79 TSHR (0.63) PRSS1MAPK1ALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150313889-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2015-11-05 — — US disclosed
US-9115107-B2 Heteroarylcarboxylic acid ester derivative AJINOMOTO CO., INC. (JP) 2015-08-25 — — US disclosed
US-20150011511-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2015-01-08 — — US disclosed
US-8877805-B2 Heteroarylcarboxylic acid ester derivative AJINOMOTO CO., INC. (JP) 2014-11-04 — — US disclosed
US-20140080790-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2014-03-20 — — US disclosed
US-20120283222-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2012-11-08 — — US disclosed
WO-2011071048-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE 味の素株式会社 (JP) 2011-06-16 — — WO disclosed
US-20080051388-A1 Novel Compounds That Inhibit Factor Xa Activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2008-02-28 — — US disclosed
EP-1470143-B1 COMPOUNDS THAT INHIBIT FACTOR XA ACTIVITY MORPHOCHEM AG KOMB CHEMIE (DE) 2007-10-31 — — EP disclosed
CN-1322001-C Novel compounds that inhibit factor Xa activity MORPHOCHEM AG FUER KOM (DE) 2007-06-20 — — CN disclosed
EP-1773855-A1 NOVEL COMPOUNDS THAT INHIBIT FACTOR XA ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2007-04-18 — — EP disclosed
WO-2006008141-A1 NOVEL COMPOUNDS THAT INHIBIT FACTOR XA ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2006-01-26 — — WO disclosed
CN-1625559-A Novel compounds that inhibit factor Xa activity MORPHOCHEM AG FUER KOM (DE) 2005-06-08 — — CN disclosed
US-20050049283-A1 Compounds that inhibit factor xa activity MORPHOCHEM AKTIENGESELLSHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2005-03-03 — — US disclosed
EP-1470143-A1 COMPOUNDS THAT INHIBIT FACTOR XA ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2004-10-27 — — EP disclosed
WO-2003064440-A1 COMPOUNDS THAT INHIBIT FACTOR XA ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2003-08-07 — — WO disclosed
US-4570006-A ANTITHROMBIN; ENZYME AND HORMONE INHIBITORS TORII & CO. LTD. (JP) 1986-02-11 — — US disclosed
US-4514416-A Amidine compound, process for producing same and anti-complement agent comprising same TORII & CO. LTD. (JP) 1985-04-30 — — 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 (6 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-20140080790-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE DPP4, DPP9, DPP7 PRSS1 6/4885MAPK1 2148/4885L3MBTL1 3371/4885
US-20120283222-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE DPP4, DPP9, DPP7 PRSS1 6/4885MAPK1 2148/4885L3MBTL1 3371/4885
US-20150011511-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE DPP4, DPP9, DPP7 PRSS1 6/4885MAPK1 2148/4885L3MBTL1 3371/4885
US-20150313889-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE DPP4, DPP9, DPP7 PRSS1 6/4885MAPK1 2148/4885L3MBTL1 3371/4885
US-20080051388-A1 Novel Compounds That Inhibit Factor Xa Activity SERPINC1, TFPI, F11 PRSS1 40/4885MAPK1 2350/4885L3MBTL1 4142/4885
US-20050049283-A1 Compounds that inhibit factor xa activity F11, TFPI, SERPINC1 PRSS1 83/4885MAPK1 2201/4885L3MBTL1 4431/4885

“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.