SCHEMBL7984154

SCHEMBL7984154

CC(C)(Oc1ccc(Cl)cc1Br)C(=O)NN

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 3/20 0.44
KDM4E B2RXH2 6/20 0.43
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
NR2F2 P24468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL7983809 0.84 ALDH1A1 (0.56) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1417502 0.83 HSD11B1 (0.51) ALDH1A1CYP1A2CYP2C19TDP1PPARA
SCHEMBL1369354 0.82 PPARA (0.56) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1417637 0.79 ALDH1A1 (0.39) GAAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL11277212 0.77 KDM4E (0.45) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1116734 0.76 CYP1A2 (0.61) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1417865 0.75 PPARA (0.65) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL7984216 0.74 HSD11B1 (0.53) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL7991799 0.74 OGG1 (0.55) ALDH1A1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL27730121 0.74 GAA (0.45) GAAALDH1A1SMN1; SMN2MEN1KMT2A

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 GAA 1904/4885ALDH1A1 359/4885SMN1; SMN2 3061/4885

“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.