SCHEMBL5203313

SCHEMBL5203313

COc1cc(-c2ccc(N(C)CCCN(C)CCCN(C)c3ccc(-c4cc(OC)c(OCC(F)(F)F)c(OC)c4)nc3)cn2)cc(OC)c1OCC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.33
DHFR P00374 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
KDM1A O60341 2/20 0.32
FYN P06241 3/20 0.31
SMPD1 P17405 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
CYP17A1 P05093 1/20 0.31
PDE4B Q07343 1/20 0.31
GAK O14976 1/20 0.30
RIPK2 O43353 1/20 0.30
STK16 O75716 1/20 0.30
EGFR P00533 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
BMP2K Q9NSY1 1/20 0.30
NLK Q9UBE8 1/20 0.30
IRAK3 Q9Y616 1/20 0.30
SYK P43405 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
Hydrochloric Acid SCHEMBL5204974 0.99 SCN9A (0.33) SCN9ADHFRHRH3KDM1AFYN
SCHEMBL5203600 0.92 SCN9A (0.36) SCN9ADHFRHRH3KDM1AFYN
SCHEMBL5207110 0.88 FYN (0.39) FYN
SCHEMBL5207081 0.85 CYP17A1 (0.39) SCN9AFYNHPGDCYP17A1PDE4B
SCHEMBL5204659 0.84 FYN (0.41) FYN
SCHEMBL5207778 0.82 CYP17A1 (0.36) SCN9AKDM1AGAAHPGDCYP17A1
SCHEMBL5204558 0.81 FYN (0.40) FYN
SCHEMBL5211272 0.81 FYN (0.40) FYN
SCHEMBL5208405 0.80 SMPD1 (0.33) KDM1ASMPD1FFAR4SYK
Hydrochloric Acid SCHEMBL5208236 0.79 FYN (0.40) FYN

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 SCN9A 1642/4885DHFR 673/4885HRH3 32/4885

“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.