SCHEMBL3608091

SCHEMBL3608091

CC(=O)c1cnc([O])cn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.44
ALDH1A1 P00352 5/20 0.40
SIRT6 Q8N6T7 2/20 0.35
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 1/20 0.31
P4HA1 P13674 1/20 0.31
MIF P14174 1/20 0.31
P4HTM Q9NXG6 1/20 0.31
POLB P06746 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL13165465 0.87 KCNJ1 (0.52) KCNJ1ALDH1A1SIRT6MAPK1P4HA1
SCHEMBL15305157 0.78 KDM4E (0.48) KCNJ1ALDH1A1SIRT6HPGDALOX15
Hydrochloric Acid SCHEMBL29202159 0.76 KDM4E (0.46) KCNJ1ALDH1A1SIRT6HPGDALOX15
SCHEMBL21477593 0.76 KCNJ1 (0.44) KCNJ1ALDH1A1SIRT6MAPK1P4HA1
SCHEMBL29526226 0.76 KCNJ1 (0.44) KCNJ1ALDH1A1SIRT6HPGDMAPK1
SCHEMBL30091932 0.76 POLB (0.50) KCNJ1ALDH1A1HPGDPOLBKDM4E
SCHEMBL29202158 0.76 KCNJ1 (0.44) KCNJ1ALDH1A1SIRT6MAPK1P4HA1
SCHEMBL5041030 0.76 SIRT6 (0.59) KCNJ1ALDH1A1SIRT6P4HA1MIF
SCHEMBL3608095 0.76 KCNJ1 (0.44) KCNJ1ALDH1A1SIRT6HPGDMAPK1
SCHEMBL1608749 0.76 POLB (0.50) KCNJ1ALDH1A1HPGDPOLBKDM4E

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-7754743-B2 Heteroarylcarbamoylbenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-13 US disclosed
US-20090018056-A1 Heteroarylcarbamoylbenzene derivatives MSD K.K. (JP) 2009-01-15 US disclosed
US-7432287-B2 Heteroarylcarbamoylbenzene derivative BANYU PHARMECEUTICAL CO., LTD. (JP) 2008-10-07 US disclosed
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative MSD K.K. (JP) 2006-07-27 US disclosed
EP-1600442-A1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-30 EP 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-20090018056-A1 Heteroarylcarbamoylbenzene derivatives GCK, GCKR, KHK KCNJ1 93/4885ALDH1A1 707/4885SIRT6 760/4885
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative GCK, GCKR, GALK1 KCNJ1 355/4885ALDH1A1 902/4885SIRT6 885/4885

“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.