SCHEMBL5336396

SCHEMBL5336396

CSc1ccc(-n2nc(C(F)(F)F)nc2-c2cc3ccccc3o2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.45
F2RL3 Q96RI0 8/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
PTGS1 P23219 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
VCP P55072 1/20 0.35
GAA P10253 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
GLA P06280 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 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
SCHEMBL4671485 0.82 PTGS2 (0.56) PTGS2F2RL3PTGS1CA1CA9
SCHEMBL5865561 0.78 PTGS1 (0.42) PTGS2KDM4EALDH1A1PTGS1HPGD
SCHEMBL4674384 0.78 PTGS2 (0.42) PTGS2KDM4EALDH1A1PTGS1HPGD
SCHEMBL4676529 0.75 KDM4E (0.41) PTGS2KDM4EALDH1A1PTGS1HPGD
SCHEMBL4731823 0.75 ESR1 (0.38) PTGS2KDM4EALDH1A1PTGS1HPGD
SCHEMBL5336400 0.75 MAPT (0.40) PTGS2F2RL3KDM4EALDH1A1HPGD
SCHEMBL4673766 0.74 NPC1 (0.38) PTGS2KDM4EALDH1A1PTGS1HPGD
SCHEMBL5205230 0.73 LMNA (0.46) PTGS2KDM4EALDH1A1PTGS1HPGD
SCHEMBL5865601 0.73 PTGS2 (0.44) PTGS2PTGS1RAB9ASMN1; SMN2CA12
SCHEMBL5865366 0.72 PTGS2 (0.43) PTGS2KDM4EALDH1A1PTGS1HSD17B10

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-1565456-B1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CHEILJEDANG CORP (KR) 2008-10-01 EP disclosed
US-7230010-B2 1,2,4-triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CORP. (KR) 2007-06-12 US disclosed
US-7230010-B2 1,2,4-triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CORP. (KR) 2007-06-12 US disclosed
US-7230010-B2 1,2,4-triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CORP. (KR) 2007-06-12 US disclosed
US-20040106612-A1 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CHEILJEDANG CORPORATION (KR) 2004-06-03 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-20040106612-A1 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same NAT1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP1B1 PTGS2 3173/4885F2RL3 4758/4885KDM4E 3268/4885

“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.