SCHEMBL5870591

SCHEMBL5870591

CCCc1[nH]c(I)nc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.38
KDM4E B2RXH2 2/20 0.35
HCAR3 P49019 2/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM5A P29375 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
PIN1 Q13526 2/20 0.31
CLK1 P49759 1/20 0.31
CLK2 P49760 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
HAO1 Q9UJM8 1/20 0.30
PDE5A O76074 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 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
SCHEMBL13646746 0.80 HCAR2 (0.41) HCAR2KDM4EHCAR3CYP2C19HSD17B10
SCHEMBL6469858 0.77 HTT (0.38) HCAR2KDM4ECYP2C19HSD17B10PIN1
SCHEMBL5870382 0.77 ALDH1A1 (0.39) KDM4ECYP2C19
Formamide SCHEMBL5870611 0.75 HCAR2 (0.39) HCAR2HCAR3CYP2C19HSD17B10PIN1
SCHEMBL28211381 0.68 HCAR2 (0.45) HCAR2HCAR3HAO1
SCHEMBL7426789 0.67 HCAR2 (0.44) HCAR2KDM4EHCAR3CYP2C19HSD17B10
SCHEMBL5870589 0.67 CYP2C19 (0.65) HCAR2KDM4EHCAR3CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL5869997 0.66 CYP2C19 (0.62) HCAR2KDM4EHCAR3CYP2C19HSD17B10
SCHEMBL651 0.66 PIN1 (0.42) HCAR2CYP2C19KDM5AKDM5BPIN1
SCHEMBL17224170 0.64 HCAR2 (0.55) HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078528-B2 Biimidazole diamide anion binding agents EAST CAROLINA UNIVERSITY (US) 2006-07-18 US disclosed
US-20050004370-A1 Biimidazole diamide anion binding agents EAST CAROLINA UNIVERSITY 2005-01-06 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-20050004370-A1 Biimidazole diamide anion binding agents ABCG2, BRI3BP, SLCO1B3 HCAR2 3094/4885KDM4E 4206/4885HCAR3 3183/4885

“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.