SCHEMBL5844593

SCHEMBL5844593

COC(=O)c1c(Cl)cc(C)[n+]([O-])c1Oc1c(C)cc(Cl)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.33
ACHE P22303 1/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
TSHR P16473 2/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
GUSB P08236 1/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 1/20 0.32
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
PLA2G2A P14555 1/20 0.32
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL5842822 0.92 ALDH1A1 (0.35) CYP3A4ACHELMNAALDH1A1HTT
SCHEMBL5845155 0.78 TTR (0.43) KMT2ALMNAALDH1A1MEN1TP53
SCHEMBL5845330 0.78 SCN4A (0.31)
SCHEMBL5845054 0.76 CYP3A4 (0.38) CYP3A4ACHEKMT2ALMNAALDH1A1
SCHEMBL2021435 0.72 CYP3A4 (0.50) CYP3A4ACHEKMT2ALMNAALDH1A1
SCHEMBL5843906 0.71 KMT2A (0.46) KMT2ALMNAALDH1A1HTTTSHR
SCHEMBL10073230 0.70 CYP3A4 (0.55) CYP3A4ACHEKMT2ALMNAALDH1A1
SCHEMBL5844095 0.69 AR (0.32)
SCHEMBL5542753 0.68 KMT2A (0.53) CYP3A4ACHEKMT2ALMNAALDH1A1
SCHEMBL5845395 0.68 POLB (0.32) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125880-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-10-24 US disclosed
US-7067664-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-06-27 US disclosed
US-6956047-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-10-18 US disclosed
US-20050032846-A1 Corticotropin releasing factor antagonists PFIZER INC. 2005-02-10 US disclosed
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed
US-6833378-B2 Pyridines, pyrimidines, purinones, pyrrolopyrimidinones and pyrrolopyridinones; useful in the treatment disorders including CNS and stress-related disorders. PFIZER INC 2004-12-21 US disclosed
EP-1263732-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS Pfizer Products Inc. (US) 2002-12-11 EP disclosed
US-20020016328-A1 Corticotropin releasing factor antagonists PFIZER INC. 2002-02-07 US disclosed
WO-2001053263-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-07-26 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 (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-20020016328-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 CYP3A4 2453/4885ACHE 3645/4885KMT2A 3168/4885
US-20050032846-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 CYP3A4 4070/4885ACHE 3130/4885KMT2A 3907/4885

“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.