SCHEMBL4814447

SCHEMBL4814447

COc1ccc2c(c1)nc(-c1cccc(Br)n1)n2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 1/20 0.49
ALDH1A1 P00352 9/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
MAPT P10636 5/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
TP53 P04637 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 2/20 0.44
AKT1 P31749 1/20 0.44
KDR P35968 1/20 0.44
PLK1 P53350 1/20 0.44
PTK2 Q05397 1/20 0.44
AURKB Q96GD4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
Hydrochloric Acid SCHEMBL7172206 0.88 ACSS2 (0.52) ACSS2ALDH1A1SMN1; SMN2MAPTNPC1
Hydrochloric Acid SCHEMBL7180788 0.88 ACSS2 (0.52) ACSS2ALDH1A1SMN1; SMN2MAPTNPC1
Hydrochloric Acid SCHEMBL7178971 0.88 ACSS2 (0.52) ACSS2ALDH1A1SMN1; SMN2MAPTNPC1
Hydrochloric Acid SCHEMBL7183253 0.88 ACSS2 (0.52) ACSS2ALDH1A1SMN1; SMN2MAPTNPC1
Hydrochloric Acid SCHEMBL7175675 0.88 ACSS2 (0.52) ACSS2ALDH1A1SMN1; SMN2MAPTNPC1
Hydrochloric Acid SCHEMBL7171156 0.88 ACSS2 (0.52) ACSS2ALDH1A1SMN1; SMN2MAPTNPC1
Hydrochloric Acid SCHEMBL7176440 0.88 ACSS2 (0.52) ACSS2ALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL4815043 0.81 CA12 (0.53) ACSS2ALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL1533891 0.79 METAP2 (0.57) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4814246 0.77 KDR (0.50) ACSS2ALDH1A1SMN1; SMN2MAPTNPC1

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-7459457-B2 Polycyclic pyridines as potassium ion channel modulators ICAGEN, INC. (US) 2008-12-02 US disclosed
EP-1742936-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-17 EP disclosed
WO-2005100340-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO disclosed
US-20050227958-A1 Polycyclic pyridines as potassium ion channel modulators ICAGEN, INC. (US) 2005-10-13 US 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-20050227958-A1 Polycyclic pyridines as potassium ion channel modulators KCNJ2, KCNH2, KCNQ1 ACSS2 3247/4885ALDH1A1 3179/4885SMN1; SMN2 3670/4885

“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.