SCHEMBL5865323

SCHEMBL5865323

CSc1ccc(-n2nc(C(F)(F)F)nc2C=Cc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.36
LMNA P02545 5/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
MAPT P10636 6/20 0.35
SMN1; SMN2 Q16637 6/20 0.35
CYP1A1 P04798 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP1B1 Q16678 3/20 0.35
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 5/20 0.35
KMT2A Q03164 4/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
PKM P14618 2/20 0.35
MEN1 O00255 2/20 0.34
BCHE P06276 1/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 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
SCHEMBL5865321 1.00 TP53 (0.36) TP53LMNAPTGS1PTGS2MAPT
SCHEMBL5204984 0.86 CYP1A2 (0.53) LMNAPTGS1PTGS2MAPTSMN1; SMN2
SCHEMBL5204978 0.86 CYP1A2 (0.53) LMNAPTGS1PTGS2MAPTSMN1; SMN2
SCHEMBL5865408 0.81 PTGS2 (0.50) PTGS1PTGS2CYP1A2
SCHEMBL5865409 0.81 PTGS2 (0.50) PTGS1PTGS2CYP1A2
SCHEMBL5865561 0.78 PTGS1 (0.42) PTGS1PTGS2MAPTSMN1; SMN2KDM4E
SCHEMBL4674384 0.71 PTGS2 (0.42) PTGS1PTGS2MAPTSMN1; SMN2CYP1A2
SCHEMBL5865601 0.70 PTGS2 (0.44) LMNAPTGS1PTGS2SMN1; SMN2NPC1
SCHEMBL4673766 0.70 NPC1 (0.38) TP53PTGS1PTGS2MAPTSMN1; SMN2
SCHEMBL5278633 0.69 MAPK13 (0.46) PTGS1PTGS2MAPTKDM4EALDH1A1

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 TP53 3239/4885LMNA 4286/4885PTGS1 523/4885

“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.