SCHEMBL6316612

SCHEMBL6316612

CN1C(=O)C(=NOCc2ccccc2)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
APOBEC3G Q9HC16 1/20 0.38
CASP1 P29466 1/20 0.38
CASP3 P42574 1/20 0.38
CASP4 P49662 1/20 0.38
CASP7 P55210 1/20 0.38
CASP9 P55211 1/20 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
SCHEMBL6316609 1.00 MAPT (0.40) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL6317019 0.86 CASP1 (0.47) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL6316929 0.81 PPARG (0.43) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL6316935 0.81 PPARG (0.43) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL6319586 0.81 CASP1 (0.39) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL6319581 0.81 CASP1 (0.39) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL6316119 0.77 CASP1 (0.47) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL6316121 0.77 CASP1 (0.47) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL9661674 0.76 CYP1A2 (0.47) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6315489 0.76 KMT2A (0.44) MAPTMEN1KMT2AKDM4EALDH1A1

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 17 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
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
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-0629615-B1 Indole derivatives as glutamate antagonists NEUROSEARCH AS (DK) 2000-02-23 EP disclosed
US-5478859-A Indole-derivatives, method of treatment therewith, and pharmaceutical compositions comprising such compounds NEUROSEARCH A/S (DK) 1995-12-26 US disclosed
EP-0432648-B1 Isatine derivatives, their preparation and use NEUROSEARCH AS (DK) 1995-08-02 EP disclosed
EP-0629615-A1 Indole derivatives as glutamate antagonists NEUROSEARCH A/S (DK) 1994-12-21 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 (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 MAPT 1939/4885MEN1 2958/4885KMT2A 2004/4885
US-20020016354-A1 Use of isatin derivatives as ion channel activating agents KCNN3, KCNJ2, KCND2 MAPT 1634/4885MEN1 2748/4885KMT2A 2811/4885

“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.