SCHEMBL4028705

SCHEMBL4028705

COc1ccc(NNC(N)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 2/20 0.56
GAA P10253 2/20 0.56
ALDH1A1 P00352 1/20 0.56
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
P2RX7 Q99572 1/20 0.53
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
PARP10 Q53GL7 2/20 0.52
PARP1 P09874 1/20 0.52
PARP2 Q9UGN5 1/20 0.52
PARP4 Q9UKK3 1/20 0.52
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48

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
SCHEMBL11439198 0.86 KMT2A (0.63) SMN1; SMN2ALDH1A1NPC1RAB9ACA1
SCHEMBL20711657 0.85 PTGS2 (0.57) PTGS2SMN1; SMN2KDM4EGAAALDH1A1
SCHEMBL5072981 0.84 ALDH1A1 (0.48) PTGS2SMN1; SMN2ALDH1A1PARP10PARP4
SCHEMBL20984200 0.84 PTGS2 (0.64) PTGS2SMN1; SMN2KDM4EGAAALDH1A1
SCHEMBL5075214 0.83 PEPD (0.52) PTGS2SMN1; SMN2KDM4EGAAALDH1A1
SCHEMBL425146 0.82 PTGS2 (0.62) PTGS2SMN1; SMN2KDM4EGAAALDH1A1
SCHEMBL2831390 0.82 PTGS2 (0.67) PTGS2SMN1; SMN2KDM4EGAAALDH1A1
SCHEMBL14557595 0.81 PTGS2 (0.57) PTGS2SMN1; SMN2KDM4EGAAALDH1A1
SCHEMBL455046 0.81 GAA (0.54) PTGS2SMN1; SMN2KDM4EGAAALDH1A1
SCHEMBL10516397 0.81 PRSS1 (0.52) PTGS2SMN1; SMN2KDM4EGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108558756-A 2-aryl-2, 3-dihydro-4 (1H) -quinolinone semicarbazone compound and application thereof 沈阳药科大学 2018-09-21 CN claimed
EP-1442026-B9 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS ASTELLAS PHARMA INC (JP) 2009-11-18 EP disclosed
EP-1442026-B1 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS ASTELLAS PHARMA INC (JP) 2009-04-08 EP disclosed
US-7448533-B2 Medical image file management system and medical image film FUJIFILM CORPORATION (JP) 2008-11-11 US disclosed
US-7448533-B2 Medical image file management system and medical image film FUJIFILM CORPORATION (JP) 2008-11-11 US disclosed
US-7410745-B2 Photothermographic material and image forming method using same FUJIFILM CORPORATION (JP) 2008-08-12 US disclosed
US-7410745-B2 Photothermographic material and image forming method using same FUJIFILM CORPORATION (JP) 2008-08-12 US disclosed
US-7253826-B2 Thermal development apparatus FUJIFILM CORPORATION (JP) 2007-08-07 US disclosed
US-7253826-B2 Thermal development apparatus FUJIFILM CORPORATION (JP) 2007-08-07 US disclosed
US-7157665-B2 Heat development apparatus and method FUJI PHOTO FILM CO., LTD. (JP) 2007-01-02 US disclosed
US-20030191155-A1 Triazole derivatives ASTELLAS PHARMA INC. (JP) 2003-10-09 US disclosed
WO-2003040110-A1 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 WO disclosed
EP-0797098-B1 Method for stabilizing bilirubin in control sera and calibrators ROCHE DIAGNOSTICS GMBH (DE) 2002-10-02 EP disclosed
US-5854073-A Stabilization of bilirubin in control sera and calibrators BOHRINGER MANNHEIM GMBH (DE) 1998-12-29 US disclosed
US-5726314-A ACETYLCHOLINESTERASE INHIBITORS AS NERVE AGENT ANTIDOTES GEORGIA TECH RESEARCH CORP. (US) 1998-03-10 US disclosed
US-5714615-A ACETYLCHOLINESTERASE ENZYME INHIBITOR, STIMULATE NICOTINIC RECEPTORS IN CENTRAL NERVOUS SYSTEM GEORGIA TECH RESEARCH CORPORATION (US) 1998-02-03 US disclosed
EP-0797098-A2 Method for stabilizing bilirubin in control sera and calibrators Roche Diagnostics GmbH (DE) 1997-09-24 EP disclosed
WO-1995021822-A1 PYRIDINIUM COMPOUNDS GEORGIA TECH RESEARCH CORPORATION (US) 1995-08-17 WO disclosed
US-4297271-A CHROMAGEN IN A DIAGNOSTIC TEST FOR FECAL BLOOD; CHROMATOGRAPHY BOEHRINGER MANNHEIM GMBH (DE) 1981-10-27 US disclosed
US-4219336-A HYDROGEN PEROXIDE, GUAIACONIC ACID BOEHRINGER MANNHEIM GMBH (DE) 1980-08-26 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 (1 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-20030191155-A1 Triazole derivatives CBR1, CBR3, CYP1B1 PTGS2 2680/4885SMN1; SMN2 4243/4885KDM4E 3034/4885

“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.