SCHEMBL1417539

SCHEMBL1417539

Cc1ccccc1-c1nnc(C(C)(C)Oc2ccccc2)n1C

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.40
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.35

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
SCHEMBL1417729 0.86 HSD11B1 (0.59) HSD11B1ALDH1A1
SCHEMBL1417619 0.81 TSHR (0.33) HSD11B1ALDH1A1KMT2A
SCHEMBL22792062 0.81 HSD11B1 (0.46) HSD11B1ALDH1A1PKM
SCHEMBL1418073 0.81 HSD11B1 (0.49) HSD11B1
Hydrochloric Acid SCHEMBL2987303 0.77 ALDH1A1 (0.44) HSD11B1ALDH1A1PKMKMT2A
SCHEMBL12671059 0.76 HSD11B1 (0.53) HSD11B1ALDH1A1
SCHEMBL2991428 0.75 HSD11B1 (0.39) HSD11B1ALDH1A1PKMKMT2A
SCHEMBL7985047 0.75 HSD11B1 (0.59) HSD11B1
SCHEMBL7988559 0.75 HSD11B1 (0.59) HSD11B1
SCHEMBL2991668 0.74 HSD11B1 (0.38) HSD11B1ALDH1A1PKMKMT2A

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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US claimed
EP-2298747-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-03-23 EP claimed
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
EP-2298747-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-03-23 EP 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 HSD11B1 1/4885ALDH1A1 359/4885PKM 3142/4885

“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.