SCHEMBL5851469

SCHEMBL5851469

CCCCc1nc(C)[nH]c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.45
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 2/20 0.33
TYMP P19971 1/20 0.32
NOS2 P35228 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GSK3B P49841 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 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
SCHEMBL5851856 0.86 SMPD3 (0.34) SMPD3ALDH1A1KDM4E
SCHEMBL27807973 0.79 TYMP (0.42) SMPD3HRH3ALDH1A1MAPK1KDM4E
SCHEMBL28098857 0.79 SMPD3 (0.40) SMPD3HRH3ALDH1A1MAPK1KDM4E
SCHEMBL27789685 0.79 SMPD3 (0.34) SMPD3HRH3ALDH1A1MAPK1KDM4E
SCHEMBL2844594 0.79 HRH3 (0.36) SMPD3HRH3
SCHEMBL5851367 0.77
SCHEMBL12176674 0.76 HTT (0.43) ALDH1A1MAPK1KDM4ETYMPGSK3B
SCHEMBL17128192 0.75 MEN1 (0.40) ALDH1A1
SCHEMBL29950957 0.75 SMPD3 (0.40) SMPD3HRH3ALDH1A1MAPK1KDM4E
Hydrochloric Acid SCHEMBL9468067 0.74 TDP1 (0.47) HRH3ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115353837-A Single-component polyion liquid adhesive and preparation method and application thereof 南开大学 2022-11-18 CN claimed
US-6984646-B2 Imidazopyridinones as p38 map kinase inhibitors BAYER HEALHCARE AG (DE) 2006-01-10 US disclosed
EP-1412353-B1 IMIDAZOPYRIDINONES AS P38 MAP KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2005-03-02 EP disclosed
US-20040220208-A1 Imidazopyridinones as p38 map kinase inhibitors BAYER HEALTHCARE AG (DE) 2004-11-04 US disclosed
EP-1412353-A1 IMIDAZOPYRIDINONES AS P38 MAP KINASE INHIBITORS Bayer HealthCare AG (DE) 2004-04-28 EP disclosed
WO-2003008413-A1 IMIDAZOPYRIDINONES AS P38 MAP KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2003-01-30 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-20040220208-A1 Imidazopyridinones as p38 map kinase inhibitors MAPK1, MAPK3, MAP3K1 SMPD3 2388/4885HRH3 1184/4885ALDH1A1 1216/4885

“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.