SCHEMBL4673766

SCHEMBL4673766

CSc1ccc(-n2nc(C(F)(F)F)nc2-c2ccc3ccccc3n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
MAPT P10636 4/20 0.38
TP53 P04637 2/20 0.38
CASP1 P29466 1/20 0.38
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
XBP1 P17861 1/20 0.36
KLF5 Q13887 1/20 0.36
CYP1A2 P05177 4/20 0.36
ALDH1A1 P00352 6/20 0.35
HPGD P15428 4/20 0.35
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
GAA P10253 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HTT P42858 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
POLB P06746 2/20 0.33

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
SCHEMBL4671866 0.81 PTGS2 (0.50) CYP1A2PTGS1PTGS2CYP2C9CYP2D6
SCHEMBL5865561 0.80 PTGS1 (0.42) MAPTCASP1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4674384 0.80 PTGS2 (0.42) RAB9AMAPTCASP1KDM4ESMN1; SMN2
SCHEMBL5865601 0.75 PTGS2 (0.44) NPC1RAB9ASMN1; SMN2PTGS1PTGS2
SCHEMBL4731823 0.74 ESR1 (0.38) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL5336396 0.74 PTGS2 (0.45) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL4676529 0.74 KDM4E (0.41) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL5278633 0.74 MAPK13 (0.46) MAPTKDM4EALDH1A1PTGS1PTGS2
SCHEMBL5201440 0.73 PTGS2 (0.49) MAPTTP53SMN1; SMN2CYP1A2PTGS1
SCHEMBL5865600 0.73 PTGS2 (0.43) TP53PTGS1PTGS2

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 9 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
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
EP-1565456-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-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
EP-1565456-A1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ Corporation (KR) 2005-08-24 EP disclosed
WO-2004048367-A1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CORPORATION (KR) 2004-06-10 WO 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 NPC1 292/4885RAB9A 2848/4885MAPT 3467/4885

“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.