SCHEMBL4549700

SCHEMBL4549700

Cc1cc(CC(=O)O)cc(C)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
UPP1 Q16831 1/20 0.41
KDM4E B2RXH2 7/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AKR1B1 P15121 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SLC22A12 Q96S37 1/20 0.39
THRB P10828 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
RECQL P46063 1/20 0.38
HPGD P15428 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL4549703 0.85 ALDH1A1 (0.49) KMT2AKDM4ETSHRHSD17B10MAPT
SCHEMBL1258850 0.77 AKR1B1 (0.46) KDM4ELMNATSHRHSD17B10MAPT
SCHEMBL23242480 0.77 THRB (0.50) KDM4ELMNATSHRHSD17B10MAPT
SCHEMBL4549705 0.77 TRPV4 (0.45) MEN1KMT2AKDM4ELMNATSHR
SCHEMBL2921654 0.75 HMGB1 (0.52) KDM4ELMNATSHRHSD17B10MAPT
SCHEMBL28650262 0.75 KDM4E (0.42) MEN1KMT2AUPP1KDM4ELMNA
SCHEMBL3004075 0.74 MEN1 (0.44) MEN1KMT2AUPP1KDM4ELMNA
SCHEMBL30349487 0.74 RXRA (0.44) KDM4ELMNATSHRHSD17B10MAPT
SCHEMBL26089529 0.74 RXRA (0.44) KDM4ELMNATSHRHSD17B10MAPT
SCHEMBL28033890 0.74 THRB (0.50) KDM4ELMNATSHRHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 US disclosed
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 US disclosed
EP-2632464-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-04-29 EP disclosed
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US disclosed
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US disclosed
WO-2012058134-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 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-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 MEN1 340/4885KMT2A 1177/4885UPP1 4420/4885

“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.