SCHEMBL875210

SCHEMBL875210

CC(F)(F)Oc1cccn2c(=O)c([N+](=O)[O-])c(C3CC3)nc12

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.37
HCAR1 Q9BXC0 1/20 0.31
PDE2A O00408 1/20 0.30
GUCY1B2 O75343 1/20 0.30
GUCY1A2 P33402 1/20 0.30
GUCY1A1 Q02108 1/20 0.30
GUCY1B1 Q02153 1/20 0.30
HSD11B1 P28845 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
SCHEMBL876238 0.83 MCHR1 (0.39) MCHR1HCAR1PDE2AGUCY1B2GUCY1A2
SCHEMBL875617 0.81 USP7 (0.36) MCHR1PDE2A
SCHEMBL883609 0.75 KCNQ2 (0.35) MCHR1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL875212 0.74 GUCY1B2 (0.34) MCHR1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL876018 0.73 PIK3CD (0.37) MCHR1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL875143 0.69 KDM4E (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL14552834 0.67 MAPT (0.40)
SCHEMBL14552819 0.67 KMT2A (0.39)
SCHEMBL14554136 0.65 ADRA2A (0.36)
SCHEMBL875476 0.63 USP7 (0.44) MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619202-A1 PYRIDMIDONES FOR TREATMENT OF POTASSIUM CHANNEL RELATED DISEASES Pfizer Inc (US) 2013-07-31 EP disclosed
US-20130184294-A1 Pyrimidones for Treatment of Potassium Channel Related Diseases PFIZER INC. (US) 2013-07-18 US disclosed
WO-2012038850-A1 PYRIDMIDONES FOR TREATMENT OF POTASSIUM CHANNEL RELATED DISEASES PFIZER INC. (US) 2012-03-29 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-20130184294-A1 Pyrimidones for Treatment of Potassium Channel Related Diseases KCNQ5, KCNQ1, KCNQ3 MCHR1 1407/4885HCAR1 1427/4885PDE2A 2006/4885

“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.