SCHEMBL3603079

SCHEMBL3603079

CC(=O)c1ccc([O])nn1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.44
ALDH1A1 P00352 1/20 0.40
NNMT P40261 1/20 0.36
THRB P10828 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
SCHEMBL13165482 0.87 KCNJ1 (0.52) KCNJ1ALDH1A1NNMTTHRB
SCHEMBL31058098 0.78 KCNJ1 (0.46) KCNJ1ALDH1A1NNMT
SCHEMBL4927935 0.76 KCNJ1 (0.44) KCNJ1ALDH1A1NNMT
SCHEMBL21935846 0.76 KCNJ1 (0.44) KCNJ1ALDH1A1NNMTTHRB
SCHEMBL3603082 0.76 KCNJ1 (0.44) KCNJ1ALDH1A1NNMTTHRB
SCHEMBL5302622 0.74 KCNJ1 (0.43) KCNJ1ALDH1A1NNMT
SCHEMBL19360076 0.74 KCNJ1 (0.43) KCNJ1ALDH1A1NNMT
SCHEMBL30508771 0.74 KCNJ1 (0.43) KCNJ1ALDH1A1NNMT
SCHEMBL1070960 0.74 JUN (0.44) KCNJ1ALDH1A1NNMT
SCHEMBL19360077 0.74 KCNJ1 (0.43) KCNJ1ALDH1A1NNMT

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 707/4885NNMT 2218/4885
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative GCK, GCKR, GALK1 KCNJ1 355/4885ALDH1A1 902/4885NNMT 1671/4885

“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.