SCHEMBL5850187

SCHEMBL5850187

CCCCc1nc(CC(=O)c2ccc(F)cc2F)[nH]c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL5850061 0.88 LMNA (0.40) CES2CES1NPC1TP53CYP1A2
SCHEMBL5850220 0.83 HTR7 (0.48) SMPD3NPC1CYP1A2CYP2C19RAB9A
Hydrochloric Acid SCHEMBL5851987 0.81 CES2 (0.41) CES2CES1NPC1TP53CYP1A2
SCHEMBL5849648 0.79 KDM4E (0.40) SMPD3CES2CES1TP53ACKR3
SCHEMBL28789385 0.73 ALDH1A1 (0.41) SMPD3GABRPGABRDGABRA1GABRB1
SCHEMBL5849981 0.71 MAPT (0.41) SMPD3NPC1TP53RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL5851298 0.69 RAB9A (0.44) NPC1CYP1A2CYP2C19RAB9ASMN1; SMN2
SCHEMBL31429675 0.69 SMPD3 (0.52) SMPD3NPC1TP53RAB9ASMN1; SMN2
SCHEMBL5850110 0.68 CES2 (0.39) CES2CES1TP53RAB9ASMN1; SMN2
SCHEMBL27819913 0.68 ALDH1A1 (0.41) SMPD3MAPTALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2388/4885GABRP 2343/4885GABRD 3796/4885

“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.