SCHEMBL4404073

SCHEMBL4404073

O=c1[nH]ncc2scnc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.39
MELK Q14680 1/20 0.36
ALDH1A1 P00352 2/20 0.33
PARP1 P09874 1/20 0.33
PRKCI P41743 1/20 0.33
PDE4B Q07343 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
ADORA2A P29274 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
XDH P47989 1/20 0.32
RAB9A P51151 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DAO P14920 1/20 0.31

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
SCHEMBL4403024 0.68 SLC2A1 (0.44) SLC2A1ALDH1A1PARP1PRKCIPDE4B
SCHEMBL3926412 0.68 MELK (0.36) MELKALDH1A1PARP1HSD17B10DAO
SCHEMBL2440453 0.67 SLC2A1 (0.38) SLC2A1ALDH1A1PARP1PRKCIPDE4B
SCHEMBL2445833 0.65 SLC2A1 (0.37) SLC2A1ALDH1A1PARP1PRKCIPDE4B
SCHEMBL4402258 0.65 SLC2A1 (0.37) SLC2A1ALDH1A1PARP1PRKCIPDE4B
SCHEMBL2437186 0.65 SLC2A1 (0.37) SLC2A1ALDH1A1PARP1PRKCIPDE4B
SCHEMBL369410 0.64 CCNA2 (0.40) MELKALDH1A1TDP1RAB9A
SCHEMBL7057135 0.64 ALDH1A1 (0.46) SLC2A1ALDH1A1PARP1PRKCIPDE4B
SCHEMBL14911621 0.63 SLC2A1 (0.38) SLC2A1ALDH1A1PARP1PRKCIPDE4B
SCHEMBL6323351 0.63 SLC2A1 (0.38) SLC2A1ALDH1A1PARP1PRKCIPDE4B

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-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
US-8017612-B2 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2011-09-13 US disclosed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 EP disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 US 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 (2 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-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP SLC2A1 3147/4885MELK 3227/4885ALDH1A1 96/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H SLC2A1 4116/4885MELK 2949/4885ALDH1A1 557/4885

“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.