SCHEMBL9894862

SCHEMBL9894862

Cc1nnn(-c2ccc(F)cc2)c1C(=O)CBr

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.50
SLC5A1 P13866 1/20 0.46
SLC5A2 P31639 1/20 0.46
GABRA5 P31644 9/20 0.44
GABRG2 P18507 5/20 0.44
GABRB3 P28472 5/20 0.44
KCNH2 Q12809 1/20 0.44
PTPN1 P18031 1/20 0.44
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
JAK2 O60674 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALPL P05186 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL13754468 0.82 PTGS2 (0.55) PTGS2SLC5A1SLC5A2GABRA5GABRG2
SCHEMBL9894965 0.82 PTGS2 (0.63) PTGS2SLC5A1SLC5A2GABRA5GABRG2
SCHEMBL9894573 0.78 KCNN4 (0.41) GAAMAPTLMNAMEN1ALDH1A1
SCHEMBL28807046 0.75 SLC5A1 (0.52) PTGS2SLC5A1SLC5A2GABRA5GABRG2
SCHEMBL21834124 0.74 GABRA5 (0.46) PTGS2GABRA5GABRG2GABRB3KCNH2
SCHEMBL6226093 0.71 ALDH1A1 (0.50) PTGS2PTPN1MAPTKDM4EALDH1A1
SCHEMBL12530467 0.71 PTGS2 (0.60) PTGS2TP53LMNAMEN1ALDH1A1
SCHEMBL2683661 0.71 PTGS2 (0.49) PTGS2SLC5A1SLC5A2GABRA5GABRG2
SCHEMBL27915203 0.71 PTGS2 (0.52) PTGS2SLC5A1SLC5A2GABRA5GABRG2
SCHEMBL14710217 0.70 SLC5A1 (0.46) PTGS2SLC5A1SLC5A2LMNAKDM4E

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
EP-2649064-B1 NOVEL TRIAZOLE COMPOUNDS III HOFFMANN LA ROCHE (CH) 2019-10-02 EP disclosed
EP-2649064-A1 NOVEL TRIAZOLE COMPOUNDS III F. Hoffmann-La Roche AG (CH) 2013-10-16 EP disclosed
US-8466181-B2 1,2,3-triazole-imidazole compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-18 US disclosed
WO-2012076590-A1 NOVEL TRIAZOLE COMPOUNDS III F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO disclosed
US-20120149675-A1 1,2,3-TRIAZOLE-IMIDAZOLECOMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-14 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-20120149675-A1 1,2,3-TRIAZOLE-IMIDAZOLECOMPOUNDS GABRA5, GABRA1, GABRB1 PTGS2 2498/4885SLC5A1 765/4885SLC5A2 1681/4885

“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.