SCHEMBL6322865

SCHEMBL6322865

O=C1Nc2c(Br)cc(Br)cc2/C1=N/O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
ALDH2 P05091 1/20 0.41
ALDH3A1 P30838 1/20 0.41
CA1 P00915 4/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
CA7 P43166 2/20 0.39
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
LRRK2 Q5S007 3/20 0.33
AGTR1 P30556 2/20 0.33
CA4 P22748 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TGM2 P21980 1/20 0.33
CES1 P23141 1/20 0.33
CA12 O43570 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL6322869 1.00 ALDH1A1 (0.41) ALDH1A1ALDH2ALDH3A1CA1CA2
SCHEMBL9472887 0.83 CA1 (0.37) ALDH1A1ALDH2ALDH3A1CA1CA2
SCHEMBL9472891 0.83 CA1 (0.37) ALDH1A1ALDH2ALDH3A1CA1CA2
SCHEMBL6317230 0.79 SMN1; SMN2 (0.43) ALDH1A1ALDH2ALDH3A1CA1CA2
SCHEMBL6317225 0.79 SMN1; SMN2 (0.43) ALDH1A1ALDH2ALDH3A1CA1CA2
SCHEMBL6323908 0.79 S100A4 (0.40) ALDH1A1GABRA1GABRA2NPSR1LMNA
SCHEMBL6323909 0.79 S100A4 (0.40) ALDH1A1GABRA1GABRA2NPSR1LMNA
SCHEMBL4739821 0.76 IDO1 (0.53) ALDH1A1CA1CA2CA9LRRK2
SCHEMBL4739822 0.76 IDO1 (0.53) ALDH1A1CA1CA2CA9LRRK2
SCHEMBL29870149 0.76 ALDH1A1 (0.67) ALDH1A1ALDH2ALDH3A1CA1CA2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190009-A1 Viral Modulators and Processes Thereof KASHANCHI FATAH (US) 2012-07-26 US claimed
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-20120190723-A1 VIRAL MODULATORS AND PROCESSES THEREOF KASHANCHI FATAH (US) 2012-07-26 US disclosed
US-20120190723-A1 VIRAL MODULATORS AND PROCESSES THEREOF KASHANCHI FATAH (US) 2012-07-26 US disclosed
US-20120190009-A1 Viral Modulators and Processes Thereof KASHANCHI FATAH (US) 2012-07-26 US disclosed
US-20120190009-A1 Viral Modulators and Processes Thereof KASHANCHI FATAH (US) 2012-07-26 US disclosed
US-20120190723-A1 VIRAL MODULATORS AND PROCESSES THEREOF KASHANCHI FATAH (US) 2012-07-26 US disclosed
US-20120190009-A1 Viral Modulators and Processes Thereof KASHANCHI FATAH (US) 2012-07-26 US disclosed
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 (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 ALDH1A1 3865/4885ALDH2 1075/4885ALDH3A1 2381/4885
US-20120190723-A1 VIRAL MODULATORS AND PROCESSES THEREOF MAVS, HAVCR2, HDLBP ALDH1A1 4453/4885ALDH2 4196/4885ALDH3A1 4177/4885

“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.