SCHEMBL5207778

SCHEMBL5207778

COc1cc(-c2ccc(NCCCN(C)CCCNc3ccc(-c4cc(OC)c(OCC(F)(F)F)c(OC)c4)nc3)cn2)cc(OC)c1OCC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.36
HIF1A Q16665 1/20 0.35
CYP1A2 P05177 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
S1PR1 P21453 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
SCN9A Q15858 1/20 0.33
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
CHRM2 P08172 1/20 0.32
CHEK1 O14757 1/20 0.32
PDE4B Q07343 1/20 0.32
MAP4K4 O95819 1/20 0.32
KDM1A O60341 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL5204521 0.82 BRD4 (0.40)
SCHEMBL5203313 0.82 SCN9A (0.33) CYP17A1SCN9APDE4BKDM1AGAA
SCHEMBL5205885 0.82 HIF1A (0.45) HIF1ACYP1A2HTR2CHTR2BS1PR1
SCHEMBL5208125 0.82 TLR9 (0.34) TLR9TLR8TLR7BCHEACHE
Hydrochloric Acid SCHEMBL5204974 0.81 SCN9A (0.33) CYP17A1SCN9APDE4BKDM1AGAA
SCHEMBL5203600 0.78 SCN9A (0.36) CYP17A1SCN9APDE4BKDM1AKDM4E
SCHEMBL5208794 0.77 BRD4 (0.46)
SCHEMBL5203320 0.76 KDM1A (0.33) SCN9AKDM1A
SCHEMBL5207785 0.76 KDM1A (0.33) CYP17A1SCN9APDE4BKDM1A
Hydrochloric Acid SCHEMBL5208557 0.76 KDM1A (0.33) SCN9AKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403251-B1 BIS(2-ARYL-5-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 EP disclosed
US-6890940-B2 Bis(2-aryl-5-pyridyl) derivatives KOWA CO., LTD. (JP) 2005-05-10 US disclosed
EP-1403251-A1 BIS(2-ARYL-5-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 EP disclosed
US-20030022886-A1 Immoglobulin E (IgE) antibody production inhibitor; treating allergic immune diseases such as asthma, dermatitis, inflammatory bowel disease and allergic opthalmopathy KOWA CO., LTD. (JP) 2003-01-30 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 (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-20030022886-A1 Immoglobulin E (IgE) antibody production inhibitor; treating allergic immune diseases such as asthma, dermatitis, inflammatory bowel disease and allergic opthalmopathy IGLV6-57, IL5, IGSF11 CYP17A1 1305/4885HIF1A 3685/4885CYP1A2 1561/4885

“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.