SCHEMBL7991790

SCHEMBL7991790

CNC(=O)C1CCc2nn(S(=O)(=O)c3ccc(C)cc3)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 5/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.38
MMP2 P08253 1/20 0.38
ANPEP P15144 1/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL7985821 0.89 EPHX2 (0.49) GAAHPGDALDH1A1LMNAEPHX2
SCHEMBL1417796 0.89 ALDH1A1 (0.40) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7987996 0.76 ALDH1A1 (0.39) GAAHPGDALDH1A1LMNAMAPK1
SCHEMBL7974241 0.69 MEN1 (0.45) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL1417607 0.68 ESR2 (0.45) MAPK1MEN1KMT2AMAPT
SCHEMBL12670983 0.67 MEN1 (0.40) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7974591 0.66 EPHX2 (0.49) GAAALDH1A1LMNAEPHX2MEN1
SCHEMBL12670984 0.66 MEN1 (0.42) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL1419555 0.65 KMT2A (0.37) GAAHPGDALDH1A1LMNASMN1; SMN2
SCHEMBL1417779 0.65 ALDH1A1 (0.42) 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 1904/4885HPGD 190/4885ALDH1A1 359/4885

“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.