SCHEMBL5336400

SCHEMBL5336400

Cc1csc(-n2nc(C(F)(F)F)nc2-c2cc3ccccc3o2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
F2RL3 Q96RI0 9/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 5/20 0.39
TSHR P16473 3/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
PTGS2 P35354 1/20 0.39
HPGD P15428 1/20 0.38
STAT1 P42224 1/20 0.38
ESR1 P03372 1/20 0.37
TP53 P04637 1/20 0.37
ATM Q13315 1/20 0.37
CYP19A1 P11511 1/20 0.37
KDM4E B2RXH2 3/20 0.37

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
SCHEMBL4673772 0.76 RAB9A (0.37) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4676537 0.75 KDM4E (0.39) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL4671485 0.73 PTGS2 (0.56) F2RL3PTGS2
SCHEMBL4671928 0.71 PTGS2 (0.41) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL12647915 0.63 NPC1 (0.69) MAPTNPC1RAB9AF2RL3SMN1; SMN2
SCHEMBL23893431 0.62 MAOB (0.48) MAPTNPC1RAB9AF2RL3SMN1; SMN2
SCHEMBL30036439 0.60 MAOB (0.63) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL103158 0.60 MAOB (0.63) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14077049 0.60 MAPT (0.47) MAPTNPC1RAB9AF2RL3SMN1; SMN2
SCHEMBL1093099 0.60 GRM4 (0.59) MAPTNPC1RAB9AF2RL3SMN1; SMN2

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-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-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 MAPT 3467/4885NPC1 292/4885RAB9A 2848/4885

“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.