SCHEMBL286442

SCHEMBL286442

COc1c(C#N)ccc(Br)c1C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
USP2 O75604 1/20 0.38
AR P10275 7/20 0.37
EGFR P00533 2/20 0.35
ERBB2 P04626 2/20 0.35
TSHR P16473 1/20 0.33
LRRK2 Q5S007 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32

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
SCHEMBL28193843 0.84 ALDH1A1 (0.40) GPR35KDM4EALDH1A1IMPDH2IMPDH1
SCHEMBL18854488 0.79 GPR35 (0.37) GPR35KDM4EALDH1A1IMPDH2IMPDH1
SCHEMBL7961132 0.79 ALDH1A1 (0.48) KDM4EALDH1A1IMPDH2IMPDH1USP2
SCHEMBL9522127 0.78 ALDH1A1 (0.52) KDM4EALDH1A1IMPDH2IMPDH1USP2
SCHEMBL16906533 0.77 AR (0.43) KDM4EALDH1A1IMPDH2IMPDH1USP2
SCHEMBL27496007 0.77 KDM4E (0.46) KDM4EALDH1A1IMPDH2IMPDH1USP2
SCHEMBL27250556 0.77 SLC22A12 (0.43) KDM4EALDH1A1IMPDH2IMPDH1USP2
SCHEMBL9292546 0.77 NQO2 (0.42) KDM4EALDH1A1USP2TSHRMEN1
SCHEMBL14720150 0.76 ALOX5AP (0.42) GPR35KDM4EALDH1A1IMPDH2IMPDH1
SCHEMBL30976506 0.74 POLB (0.41) GPR35KDM4EALDH1A1IMPDH2IMPDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427444-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-16 EP disclosed
US-9018211-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-05-22 US disclosed
US-8673920-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
EP-2427444-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2012-03-14 EP disclosed
WO-2010129379-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO disclosed
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2010-11-11 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-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 GPR35 2924/4885KDM4E 1977/4885ALDH1A1 1376/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 GPR35 2924/4885KDM4E 1977/4885ALDH1A1 1376/4885

“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.