SCHEMBL1419969

SCHEMBL1419969

NNC(=O)c1sc(N)nc1C1CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
GAA P10253 4/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
GFER P55789 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HSD11B1 P28845 8/20 0.37
KDM4E B2RXH2 2/20 0.35
ATM Q13315 1/20 0.35
CYP1A2 P05177 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
LCK P06239 1/20 0.33

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
SCHEMBL7983424 0.79 HSD17B10 (0.45) ALDH1A1GAAMAPTSMN1; SMN2USP2
Bromide SCHEMBL1417562 0.78 HSD17B10 (0.44) ALDH1A1GAAMAPTSMN1; SMN2USP2
SCHEMBL3454855 0.75 ALDH1A1 (0.61) ALDH1A1GAAMAPTSMN1; SMN2HSD17B10
SCHEMBL13068831 0.74 HPGD (0.49) ALDH1A1MAPTKDM4E
SCHEMBL16075241 0.73 MAPT (0.42) ALDH1A1GAAMAPTSMN1; SMN2USP2
SCHEMBL2868146 0.71 ABCC8 (0.47) ALDH1A1GAAMAPTSMN1; SMN2KDM4E
SCHEMBL13068532 0.71 P2RX7 (0.47)
SCHEMBL11157805 0.69 ALDH1A1 (0.57) ALDH1A1GAAMAPTUSP2HSD17B10
SCHEMBL11325825 0.69 ALDH1A1 (0.37) ALDH1A1GAAMAPTSMN1; SMN2USP2
SCHEMBL13210394 0.66 GAA (0.59) GAAMAPTSMN1; SMN2USP2ALOX15

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298747-B1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2016-12-28 EP disclosed
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-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
CN-102076671-A Triazole derivative or salt thereof ASTELLAS PHARMA INC 2011-05-25 CN 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
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
EP-2298747-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-03-23 EP 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 359/4885GAA 1904/4885MAPT 1571/4885

“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.