SCHEMBL5202257

SCHEMBL5202257

CSc1ccc(-n2nc(C(F)(F)F)nc2-c2ccc([N+](=O)[O-])cc2Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
MAPT P10636 6/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 4/20 0.35
USP2 O75604 1/20 0.35
ALPG P10696 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SENP8 Q96LD8 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
SCHEMBL5273552 0.86 PTGS2 (0.48) PTGS1PTGS2KMT2A
SCHEMBL5205434 0.84 PTGS2 (0.54) PTGS1PTGS2
SCHEMBL5205217 0.75
SCHEMBL5201554 0.73 PTGS2 (0.42) PTGS1PTGS2MAPTALDH1A1
SCHEMBL5201440 0.72 PTGS2 (0.49) PTGS1PTGS2MAPTSMN1; SMN2
SCHEMBL5204407 0.71 PTGS2 (0.53) PTGS1PTGS2KMT2A
SCHEMBL5202264 0.70 PTGS2 (0.43) PTGS1PTGS2MAPTMEN1KMT2A
SCHEMBL5205097 0.70 GABRP (0.43) PTGS1PTGS2KMT2ALMNASMN1; SMN2
SCHEMBL9089661 0.70 PTGS1 (0.74) PTGS1PTGS2LMNAPDE4D
SCHEMBL5207390 0.69 PTGS2 (0.47) PTGS1PTGS2MEN1KMT2ANPC1

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-1539718-A4 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CORP (KR) 2007-08-01 EP disclosed
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
EP-1539718-A1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ Corporation (KR) 2005-06-15 EP 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
WO-2004014878-A1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CORPORATION (KR) 2004-02-19 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-20050075507-A1 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CYP4B1, CYP3A5, CYP7A1 PTGS1 523/4885PTGS2 1769/4885MAPT 1291/4885

“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.