SCHEMBL16232245

SCHEMBL16232245

O=COCc1ncc(-n2cnnn2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.44
KCNJ1 P48048 6/20 0.44
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
F2 P00734 1/20 0.38
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 2/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.35
TP53 P04637 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
SCHEMBL15196742 0.85 KCNJ1 (0.44) NOTUMKCNJ1ALDH1A1MAPTHPGD
SCHEMBL28114782 0.73 L3MBTL1 (0.39) ALDH1A1MAPTTSHRMAPK1POLB
SCHEMBL18213684 0.71 KCNJ1 (0.58) NOTUMKCNJ1KMT2AF2ALDH1A1
SCHEMBL18216598 0.68 NOTUM (0.45) NOTUMKCNJ1KMT2AALDH1A1MAPT
SCHEMBL16232247 0.67 KCNJ1 (0.38) KCNJ1POLBBLMTDP1
SCHEMBL15017919 0.63 ALDH1A1 (0.46) KCNJ1MEN1KMT2AALDH1A1MAPT
SCHEMBL15018160 0.63 AGBL2 (0.51) NOTUMKCNJ1KMT2AALDH1A1MAPT
SCHEMBL14242835 0.62 NOTUM (0.66) NOTUMKCNJ1F2ALDH1A1MAPT
SCHEMBL16232248 0.62 KCNJ1 (0.42) NOTUMKCNJ1KMT2AALDH1A1MAPT
SCHEMBL16867052 0.62 NOTUM (0.45) NOTUMKCNJ1ALDH1A1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206199-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
US-20140336177-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2014-11-13 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 (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-20140336177-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 NOTUM 4002/4885KCNJ1 2/4885MEN1 247/4885

“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.