SCHEMBL4896523

SCHEMBL4896523

Clc1cnc(-c2cccc(Br)n2)s1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA3 P34903 1/20 0.37
KDR P35968 2/20 0.34
TGFBR1 P36897 1/20 0.33
MAPK14 Q16539 1/20 0.33
TRPM5 Q9NZQ8 1/20 0.31
ALOX15 P16050 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4903147 0.79 SRC (0.43) GABRA1GABRG2GABRB3GABRA3KDR
SCHEMBL4899157 0.77 CCNE1 (0.35) GABRA1GABRG2GABRB3GABRA3KDR
SCHEMBL4891091 0.76 SRC (0.34) GABRA1GABRG2GABRB3GABRA3KDR
SCHEMBL4903106 0.70 ALDH1A1 (0.37) ALDH1A1
SCHEMBL24958950 0.70 TRPM5 (0.45) KDRTRPM5
SCHEMBL30029030 0.70 TRPM5 (0.45) KDRTRPM5
SCHEMBL29539234 0.70 CCR1 (0.46) GABRA1GABRG2GABRB3GABRA3TGFBR1
SCHEMBL229994 0.70 CCR1 (0.46) GABRA1GABRG2GABRB3GABRA3TGFBR1
SCHEMBL4905135 0.68 RAB9A (0.53)
SCHEMBL700152 0.68 CCR1 (0.46) GABRA1GABRG2GABRB3GABRA3TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators ICAGEN, INC. (US) 2008-05-08 US disclosed
CN-1980923-A Polycyclic pyridines as potassium ion channel modulators ICAGEN INC (US) 2007-06-13 CN disclosed
EP-1737852-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-03 EP disclosed
WO-2005100349-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO 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-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators KCNJ2, KCNH2, KCNQ1 GABRA1 256/4885GABRG2 380/4885GABRB3 291/4885

“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.