SCHEMBL6322987

SCHEMBL6322987

O=C1Nc2ccc(Br)cc2/C1=N/O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.61
CES1 P23141 1/20 0.61
LRRK2 Q5S007 3/20 0.60
AGTR1 P30556 2/20 0.60
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
CA1 P00915 3/20 0.49
CA2 P00918 2/20 0.49
CA4 P22748 1/20 0.49
CA7 P43166 1/20 0.49
MAP3K7 O43318 1/20 0.48
TAB1 Q15750 1/20 0.48
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
CCNB2 O95067 3/20 0.47
CDK1 P06493 3/20 0.47
CCNB1 P14635 3/20 0.47
CCNB3 Q8WWL7 3/20 0.47
HSP90AA1 P07900 1/20 0.47
CCR6 P51684 1/20 0.47

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
SCHEMBL6315587 1.00 TGM2 (0.61) TGM2CES1LRRK2AGTR1KDM4E
SCHEMBL16318439 0.86 TGM2 (0.47) TGM2CES1LRRK2AGTR1KDM4E
SCHEMBL16318438 0.86 TGM2 (0.47) TGM2CES1LRRK2AGTR1KDM4E
SCHEMBL5740077 0.83 TGM2 (0.61) TGM2CES1LRRK2AGTR1KDM4E
SCHEMBL3850179 0.80 LRRK2 (0.50) TGM2CES1LRRK2AGTR1KDM4E
SCHEMBL30813240 0.79 LRRK2 (0.60) LRRK2AGTR1CA1CA2MAP3K7
SCHEMBL6325243 0.79 MAPT (0.60) LRRK2AGTR1KDM4EMAPTCA1
SCHEMBL7220775 0.79 SMN1; SMN2 (0.40) LRRK2AGTR1MAPTCA1CA2
SCHEMBL6325239 0.79 MAPT (0.60) LRRK2AGTR1KDM4EMAPTCA1
SCHEMBL20436331 0.79 MAPT (0.60) LRRK2AGTR1KDM4EMAPTCA1

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 10 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-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 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 (3 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 TGM2 2299/4885CES1 1998/4885LRRK2 715/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 TGM2 2299/4885CES1 1998/4885LRRK2 715/4885
US-20030114513-A1 Use of isatin derivatives as ion channel activating agents KCNN3, KCNJ2, KCND2 TGM2 4165/4885CES1 2434/4885LRRK2 1548/4885

“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.