SCHEMBL7983424

SCHEMBL7983424

COC(=O)c1sc(N)nc1C1CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.45
GAA P10253 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 2/20 0.45
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
GFER P55789 1/20 0.45
KDM4E B2RXH2 4/20 0.40
PKM P14618 2/20 0.40
ALDH1A1 P00352 8/20 0.40
DHODH Q02127 3/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPK1 P28482 1/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD11B1 P28845 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
Bromide SCHEMBL1417562 0.98 HSD17B10 (0.44) HSD17B10GAASMN1; SMN2MAPTUSP2
SCHEMBL3454855 0.83 ALDH1A1 (0.61) HSD17B10GAASMN1; SMN2MAPTKDM4E
SCHEMBL31412348 0.82 TSHR (0.41) HSD17B10GAAMAPTALDH1A1DHODH
SCHEMBL1419969 0.79 ALDH1A1 (0.56) HSD17B10GAASMN1; SMN2MAPTUSP2
SCHEMBL11157805 0.77 ALDH1A1 (0.57) HSD17B10GAAMAPTUSP2KDM4E
SCHEMBL276275 0.74 ALDH1A1 (0.62) GAAMAPTKDM4EPKMALDH1A1
SCHEMBL8574686 0.73 KDM4E (0.48) HSD17B10GAASMN1; SMN2MAPTALOX15
SCHEMBL8146643 0.73 KDM4E (0.48) HSD17B10GAASMN1; SMN2MAPTALOX15
SCHEMBL16075241 0.72 MAPT (0.42) HSD17B10GAASMN1; SMN2MAPTUSP2
SCHEMBL16399765 0.72 SMN1; SMN2 (0.50) GAASMN1; SMN2MAPTKDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102076671-B Triazole derivative or salt thereof ASTELLAS PHARMA INC 2013-05-15 CN 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
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 HSD17B10 19/4885GAA 1904/4885SMN1; 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.