SCHEMBL7984654

SCHEMBL7984654

CCn1c(-c2ccc(C(N)=O)s2)nnc1C(C)(C)Oc1c(F)cc(Cl)cc1F

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.35
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX2 P34913 1/20 0.34
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32

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
SCHEMBL7984651 0.85
SCHEMBL12671388 0.85 IKBKB (0.35) IKBKBHSD17B1HSD17B2
SCHEMBL1417571 0.82 ALPG (0.38)
SCHEMBL12671369 0.81 METAP2 (0.34)
SCHEMBL12671316 0.80 ACSS2 (0.36) KMT2A
SCHEMBL7986374 0.79 BACE1 (0.30) MAPTSMN1; SMN2
SCHEMBL7971540 0.76 ALDH1A1 (0.37) MAPTHPGD
SCHEMBL1418321 0.75 DYRK1A (0.35)
SCHEMBL7978690 0.75 HSD11B1 (0.36)
SCHEMBL1418152 0.74 ACSS2 (0.38) KMT2A

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
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 IKBKB 884/4885MAPT 1571/4885HPGD 190/4885

“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.