SCHEMBL6317029

SCHEMBL6317029

O=C1Nc2c(cc([N+](=O)[O-])c3ccccc23)C1=NO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.49
CDK5 Q00535 2/20 0.49
CDK5R1 Q15078 2/20 0.49
SIRT2 Q8IXJ6 1/20 0.43
CTSB P07858 2/20 0.42
MAPT P10636 3/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
HPRT1 P00492 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
STAT6 P42226 1/20 0.39

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
SCHEMBL6317024 1.00 HSP90AA1 (0.49) HSP90AA1CDK5CDK5R1SIRT2CTSB
SCHEMBL9199087 0.81 MAPT (0.39) HSP90AA1SIRT2CTSBMAPTHPRT1
SCHEMBL9472927 0.78 POLB (0.48) HSP90AA1CDK5CDK5R1MAPTALDH1A1
SCHEMBL9472921 0.78 POLB (0.48) HSP90AA1CDK5CDK5R1MAPTALDH1A1
SCHEMBL6316916 0.77 MAPT (0.42) HSP90AA1CDK5CDK5R1MAPTNCOA1
SCHEMBL6316919 0.77 MAPT (0.42) HSP90AA1CDK5CDK5R1MAPTNCOA1
SCHEMBL9198142 0.77 FFAR4 (0.40) SIRT2CTSBMAPTALDH1A1TDP1
SCHEMBL6318400 0.76 HSP90AA1 (0.38) HSP90AA1CDK5CDK5R1MAPTNCOA1
SCHEMBL6318396 0.76 HSP90AA1 (0.38) HSP90AA1CDK5CDK5R1MAPTNCOA1
SCHEMBL6323909 0.76 S100A4 (0.40) HSP90AA1CDK5CDK5R1MAPTNCOA1

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-6969729-B2 Use of isatin derivatives as ion channel activating agents NEUROSEARCH A/S (DK) 2005-11-29 US claimed
US-20030114513-A1 Use of isatin derivatives as ion channel activating agents NEUROSEARCH A/S 2003-06-19 US claimed
JP-2002531498-A 2002-09-24 JP claimed
US-20020016354-A1 Use of isatin derivatives as ion channel activating agents NEUROSEARCH A/S (DK) 2002-02-07 US claimed
EP-1135123-A1 USE OF ISATIN DERIVATIVES AS ION CHANNEL ACTIVATING AGENTS NEUROSEARCH A/S (DK) 2001-09-26 EP claimed
WO-2000033834-A1 USE OF ISATIN DERIVATIVES AS ION CHANNEL ACTIVATING AGENTS NEUROSEARCH A/S (DK) 2000-06-15 WO claimed
EP-0432648-B1 Isatine derivatives, their preparation and use NEUROSEARCH AS (DK) 1995-08-02 EP claimed
EP-0432648-A2 Isatine derivatives, their preparation and use NEUROSEARCH A/S (DK) 1991-06-19 EP claimed
US-6893792-B2 Positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-17 US disclosed
US-6762007-B2 A BLENDS COMPRISING A PARTIALLY ETHERIFIED POLYHYDROXYSTYRENE-P AND A PARTIALLY ESTERIFIED POLYHYDROXYSTYRENE-P WITH PIVALIC ACID, AN ACID GENERATORS; PHOTOLITHOGRAPHY ACTIVATED BY HIGH-ENERGY ULTRAVIOLET RAY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-13 US disclosed
US-20030180663-A1 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY (JP) 2003-09-25 US disclosed
US-20020016354-A1 Use of isatin derivatives as ion channel activating agents NEUROSEARCH A/S (DK) 2002-02-07 US disclosed
EP-1135123-A1 USE OF ISATIN DERIVATIVES AS ION CHANNEL ACTIVATING AGENTS NEUROSEARCH A/S (DK) 2001-09-26 EP disclosed
WO-2000033834-A1 USE OF ISATIN DERIVATIVES AS ION CHANNEL ACTIVATING AGENTS NEUROSEARCH A/S (DK) 2000-06-15 WO disclosed
EP-0432648-B1 Isatine derivatives, their preparation and use NEUROSEARCH AS (DK) 1995-08-02 EP disclosed
US-5198461-A Isatine derivatives, their preparation and use NEUROSEARCH A/S (DK) 1993-03-30 US disclosed
US-5192792-A Isatine derivatives, and their method of use WARNER-LAMBERT COMPANY (US) 1993-03-09 US disclosed
EP-0432648-A2 Isatine derivatives, their preparation and use NEUROSEARCH A/S (DK) 1991-06-19 EP 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 (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-20030114513-A1 Use of isatin derivatives as ion channel activating agents KCNN3, KCNJ2, KCND2 HSP90AA1 3512/4885CDK5 418/4885CDK5R1 458/4885
US-20020016354-A1 Use of isatin derivatives as ion channel activating agents KCNN3, KCNJ2, KCND2 HSP90AA1 4168/4885CDK5 358/4885CDK5R1 402/4885

“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.