SCHEMBL7983809

SCHEMBL7983809

Cc1cc(Cl)ccc1OC(C)(C)C(=O)NN

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
KDM4E B2RXH2 2/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 2/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 4/20 0.44
KCNH2 Q12809 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
HIF1A Q16665 1/20 0.44
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL13593225 0.87 TSHR (0.47) ALDH1A1KDM4ETP53ALOX15TSHR
SCHEMBL7984154 0.84 GAA (0.46) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL1417502 0.84 HSD11B1 (0.51) ALDH1A1TSHRCYP1A2PPARGPPARA
SCHEMBL14269950 0.83 LMNA (0.48) ALDH1A1KDM4ETP53ALOX15TSHR
SCHEMBL7978183 0.81 PPARA (0.57) ALDH1A1KDM4ETP53ALOX15TSHR
SCHEMBL1417637 0.80 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL7984260 0.77 TSHR (0.64) ALDH1A1KDM4ETP53ALOX15TSHR
SCHEMBL28363492 0.76 TSHR (0.55) ALDH1A1KDM4ETP53ALOX15TSHR
SCHEMBL1417865 0.76 PPARA (0.65) ALDH1A1TSHRHTR2AMEN1KMT2A
SCHEMBL13593236 0.76 TSHR (0.43) ALDH1A1KDM4ETP53ALOX15TSHR

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 ALDH1A1 359/4885KDM4E 3912/4885TP53 3435/4885

“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.