SCHEMBL5845237

SCHEMBL5845237

COc1ccc(Cl)c(OC)c1Oc1nc(C)cc(Br)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.36
NQO2 P16083 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 3/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
TSHR P16473 1/20 0.33
APOBEC3A P31941 1/20 0.33

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
SCHEMBL5844435 0.82 SLC6A4 (0.43) NPC1POLBMAPTKMT2AHSP90AA1
SCHEMBL5844551 0.77 ATM (0.36) POLBALDH1A1HTTKMT2ALMNA
SCHEMBL5844878 0.77 CRHR1 (0.44) POLBHTTTSHRAPOBEC3AAPOBEC3G
SCHEMBL5845734 0.77 SCN9A (0.39) POLBMAPTKMT2ALMNAMEN1
SCHEMBL5844075 0.74 CRHR1 (0.46) MAPT
SCHEMBL5844489 0.73 CRHR1 (0.43)
SCHEMBL5845228 0.73 POLB (0.38) POLBTSHR
SCHEMBL9417290 0.70 ALDH1A1 (0.47) RAB9APOLBALDH1A1HTTMAPT
SCHEMBL5844270 0.67 CRHR1 (0.45) POLBTSHR
SCHEMBL26601656 0.65 CA2 (0.45) POLBNQO2ALDH1A1HTTMAPT

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 8 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-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 NPC1 1824/4885RAB9A 842/4885POLB 4331/4885
US-20050032846-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 NPC1 528/4885RAB9A 1054/4885POLB 4634/4885

“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.