SCHEMBL7985174

SCHEMBL7985174

Cn1c(-c2ccncc2Br)nnc1C(C)(C)Oc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HSD11B1 P28845 5/20 0.36
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 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
SCHEMBL7981272 0.88 HSD11B1 (0.40) LMNAMAPTHSD11B1CYP1A2CYP3A4
SCHEMBL12671059 0.84 HSD11B1 (0.53) LMNAMAPTHSD11B1
SCHEMBL1417853 0.81 HSD11B1 (0.41) HSD11B1
SCHEMBL7982566 0.77 HSD11B1 (0.41) HSD11B1PDE2APDE10A
Hydrochloric Acid SCHEMBL1417704 0.76 HSD11B1 (0.40) HSD11B1PDE2APDE10A
SCHEMBL7984475 0.74 TSHR (0.40) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7979689 0.73 HSD11B1 (0.54) HSD11B1PDE2APDE10A
SCHEMBL1417548 0.73 HSD11B1 (0.58) HSD11B1
Hydrochloric Acid SCHEMBL1417981 0.72 HSD11B1 (0.57) HSD11B1
SCHEMBL7988980 0.71 ALDH1A1 (0.41) HSD11B1

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 LMNA 4210/4885MAPT 1571/4885HSD11B1 1/4885

“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.