SCHEMBL5865600

SCHEMBL5865600

CSc1ccc(-n2nc(C(F)(F)F)nc2-c2ccc(Br)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.43
PTGS1 P23219 6/20 0.43
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.37
ALOX5 P09917 1/20 0.36
MAPK13 O15264 2/20 0.35
GCGR P47871 2/20 0.35
MAPK12 P53778 2/20 0.35
MAPK11 Q15759 2/20 0.35
MAPK14 Q16539 2/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34

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
SCHEMBL5865601 0.89 PTGS2 (0.44) PTGS2PTGS1LMNAALOX5MAPK14
SCHEMBL5201440 0.87 PTGS2 (0.49) PTGS2PTGS1TP53GABRPGABRD
SCHEMBL5865561 0.86 PTGS1 (0.42) PTGS2PTGS1
SCHEMBL5865655 0.86 PTGS2 (0.42) PTGS2PTGS1MAPK13GCGRMAPK12
SCHEMBL5278633 0.85 MAPK13 (0.46) PTGS2PTGS1ALOX5MAPK13GCGR
SCHEMBL5865366 0.85 PTGS2 (0.43) PTGS2PTGS1LMNATP53MALT1
SCHEMBL6885231 0.85 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL5204715 0.85 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL5865582 0.84 PDPK1 (0.41) PTGS2PTGS1GABRPGABRDGABRA1
SCHEMBL5203715 0.83 LMNA (0.43) PTGS2PTGS1LMNAALOX5MALT1

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-7019144-B2 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CORP. (KR) 2006-03-28 US disclosed
US-20050075507-A1 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CHEILJEDANG CORPORATION (KR) 2005-04-07 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-20050075507-A1 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CYP4B1, CYP3A5, CYP7A1 PTGS2 1769/4885PTGS1 523/4885LMNA 4286/4885

“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.