SCHEMBL5204978

SCHEMBL5204978

COc1ccc(/C=C/c2nc(C(F)(F)F)nn2-c2ccc(SC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 10/20 0.53
CYP1A1 P04798 9/20 0.53
CYP1B1 Q16678 9/20 0.53
PTGS2 P35354 4/20 0.39
PTGS1 P23219 3/20 0.39
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
CDK5 Q00535 1/20 0.38
PAX8 Q06710 1/20 0.38
CDK5R1 Q15078 1/20 0.38
RCE1 Q9Y256 1/20 0.38
HPGD P15428 2/20 0.37
NFE2L2 Q16236 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL5204984 1.00 CYP1A2 (0.53) CYP1A2CYP1A1CYP1B1PTGS2PTGS1
SCHEMBL5865323 0.86 TP53 (0.36) CYP1A2CYP1A1CYP1B1PTGS2PTGS1
SCHEMBL5865321 0.86 TP53 (0.36) CYP1A2CYP1A1CYP1B1PTGS2PTGS1
SCHEMBL5202329 0.83 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL5865334 0.83 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL5204715 0.80 PTGS2 (0.58) CYP1A2PTGS2PTGS1CYP3A4CYP2C9
SCHEMBL6885231 0.80 PTGS2 (0.58) CYP1A2PTGS2PTGS1CYP3A4CYP2C9
SCHEMBL5205097 0.73 GABRP (0.43) CYP1A2CYP1A1CYP1B1PTGS2PTGS1
SCHEMBL5796056 0.73 CYP1A2 (1.00) CYP1A2CYP1A1CYP1B1PTGS2KDM4E
SCHEMBL6132473 0.70 PTGS2 (0.67) CYP1A2PTGS2PTGS1SMN1; SMN2MAPT

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 CYP1A2 11/4885CYP1A1 15/4885CYP1B1 12/4885

“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.