SCHEMBL6315489

SCHEMBL6315489

O=C1Nc2c(cc([N+](=O)[O-])cc2[N+](=O)[O-])/C1=N/OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HSP90AA1 P07900 1/20 0.39
TLR9 Q9NR96 1/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
PKM P14618 1/20 0.39
MPI P34949 1/20 0.39
GALK1 P51570 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL6315492 1.00 KMT2A (0.44) KMT2AMEN1NPC1RAB9AHSP90AA1
SCHEMBL6323807 0.78 SMN1; SMN2 (0.39) KMT2AMEN1MAPTALDH1A1MPI
SCHEMBL6323805 0.78 SMN1; SMN2 (0.39) KMT2AMEN1MAPTALDH1A1MPI
SCHEMBL6316612 0.76 MAPT (0.40) KMT2AMEN1NPC1RAB9AHSP90AA1
SCHEMBL6316609 0.76 MAPT (0.40) KMT2AMEN1NPC1RAB9AHSP90AA1
SCHEMBL9659896 0.76 KMT2A (0.44) KMT2AMEN1NPC1RAB9AHSP90AA1
SCHEMBL9659900 0.76 KMT2A (0.44) KMT2AMEN1NPC1RAB9AHSP90AA1
SCHEMBL6317019 0.75 CASP1 (0.47) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL6316916 0.74 MAPT (0.42) KMT2AMEN1HSP90AA1MAPTALDH1A1
SCHEMBL6316919 0.74 MAPT (0.42) KMT2AMEN1HSP90AA1MAPTALDH1A1

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 7 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
US-6969729-B2 Use of isatin derivatives as ion channel activating agents NEUROSEARCH A/S (DK) 2005-11-29 US disclosed
US-20030114513-A1 Use of isatin derivatives as ion channel activating agents NEUROSEARCH A/S 2003-06-19 US 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
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 (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-20030114513-A1 Use of isatin derivatives as ion channel activating agents KCNN3, KCNJ2, KCND2 KMT2A 2004/4885MEN1 2958/4885NPC1 1313/4885

“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.