SCHEMBL5865366

SCHEMBL5865366

CSc1ccc(-n2nc(C(F)(F)F)nc2-c2cccc(Br)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.43
PTGS1 P23219 4/20 0.41
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
NPC1 O15118 2/20 0.35
HCRTR1 O43613 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
TP53 P04637 1/20 0.35
SYK P43405 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 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
SCHEMBL5205230 0.87 LMNA (0.46) PTGS2PTGS1KMT2AMALT1KDM4E
SCHEMBL5202264 0.86 PTGS2 (0.43) PTGS2PTGS1KMT2AMEN1MALT1
SCHEMBL5865600 0.85 PTGS2 (0.43) PTGS2PTGS1MALT1TP53LMNA
SCHEMBL5865561 0.85 PTGS1 (0.42) PTGS2PTGS1KMT2AMEN1KDM4E
SCHEMBL4674384 0.82 PTGS2 (0.42) PTGS2PTGS1KMT2AMEN1RAB9A
SCHEMBL5202805 0.81 PTGS2 (0.66) PTGS2PTGS1CYP2C9
SCHEMBL5865601 0.80 PTGS2 (0.44) PTGS2PTGS1NPC1RAB9AALOX15
SCHEMBL5278633 0.79 MAPK13 (0.46) PTGS2PTGS1KDM4EALDH1A1MAPT
SCHEMBL5201440 0.78 PTGS2 (0.49) PTGS2PTGS1TP53TSHRMAPT
SCHEMBL5865655 0.77 PTGS2 (0.42) PTGS2PTGS1MALT1KDM4EALDH1A1

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 523/4885KMT2A 2661/4885

“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.