SCHEMBL3729028

SCHEMBL3729028

C=CCOc1ccccc1-c1nnn[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GCGR P47871 1/20 0.40
MAPK14 Q16539 1/20 0.40
LIG1 P18858 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PTPRC P08575 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SLC22A1 O15245 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL11626593 0.87 PDE5A (0.38) HPGDGCGRMAPK14CA12CA1
SCHEMBL6956795 0.80 PDE5A (0.49) HPGDHSD17B10L3MBTL1ALDH1A1KDM4E
SCHEMBL6960842 0.78 BRD4 (0.51) MAPK1MAPK14L3MBTL1HTR1A
SCHEMBL6961624 0.78 PDE5A (0.51) HPGDHSD17B10ALDH1A1KDM4ELMNA
SCHEMBL7764770 0.77 HPGD (0.55) TSHRHPGDMAPK1HSD17B10GCGR
SCHEMBL6957680 0.77 PDE5A (0.52) HPGDGCGRALDH1A1KDM4ELMNA
SCHEMBL6953203 0.75 IDO1 (0.52)
SCHEMBL11148878 0.75 ADORA3 (0.45) HSD17B10L3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL8541279 0.75 ADRA1A (0.54) TSHRHPGDMAPK1HSD17B10GCGR
SCHEMBL3394704 0.74 ALDH1A1 (0.53) HPGDMAPK1HSD17B10CA12CA1

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-8304385-B2 Macrocyclic tetrazolyl hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-11-06 US disclosed
CN-102026544-A Macrocyclic tetrazolyl hepatitis c virus serine protease inhibitors ENANTA PHARM INC 2011-04-20 CN disclosed
EP-2219454-A1 MACROCYCLIC TETRAZOLYL HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2010-08-25 EP disclosed
US-20090142299-A1 MACROCYCLIC TETRAZOLYL HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-04 US disclosed
WO-2009064955-A1 MACROCYCLIC TETRAZOLYL HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-05-22 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-20090142299-A1 MACROCYCLIC TETRAZOLYL HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS4, PRSS1, SPINT2 TSHR 4014/4885HPGD 1903/4885MAPK1 3247/4885

“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.