SCHEMBL5865649

SCHEMBL5865649

COc1ccc(-c2nc(C(F)(F)F)nn2-c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.60
PTGS1 P23219 7/20 0.60
L3MBTL1 Q9Y468 2/20 0.53
HPGD P15428 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GSK3B P49841 2/20 0.45

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
SCHEMBL6132473 0.93 PTGS2 (0.67) PTGS2PTGS1L3MBTL1SMN1; SMN2MAPT
SCHEMBL6132192 0.89 PTGS2 (0.63) PTGS2PTGS1L3MBTL1HPGD
SCHEMBL6132484 0.89 PTGS2 (0.63) PTGS2PTGS1L3MBTL1HPGD
SCHEMBL6132399 0.87 PTGS2 (0.58) PTGS2PTGS1L3MBTL1SMN1; SMN2MAPT
SCHEMBL6683341 0.87 PTGS1 (0.58) PTGS2PTGS1L3MBTL1HPGDSMN1; SMN2
SCHEMBL6681240 0.86 PTGS2 (0.60) PTGS2PTGS1L3MBTL1
SCHEMBL28957164 0.85 SMN1; SMN2 (0.54) PTGS1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5204715 0.84 PTGS2 (0.58) PTGS2PTGS1L3MBTL1
SCHEMBL6885231 0.84 PTGS2 (0.58) PTGS2PTGS1L3MBTL1
SCHEMBL6132400 0.83 PTGS2 (0.57) PTGS2PTGS1L3MBTL1

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 523/4885L3MBTL1 4445/4885

“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.