SCHEMBL5207725

SCHEMBL5207725

COc1cc(-c2ccc(N(C)CCN(C)c3ccc(-c4cc(OC)c(OCCO)c(OC)c4)nc3)cn2)cc(OC)c1OCCO

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BRD4 O60885 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
FYN P06241 4/20 0.34
APP P05067 2/20 0.34

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
SCHEMBL5203389 0.90 HRH3 (0.38) ALDH1A1HRH3SMN1; SMN2FYN
SCHEMBL5207045 0.90 HRH3 (0.42) ALDH1A1HRH3TUBB1SMN1; SMN2FYN
SCHEMBL5207852 0.88 FYN (0.43) BRD4TUBB1FYN
SCHEMBL5205364 0.87 MEN1 (0.41) HRH3TUBB1SMN1; SMN2FYN
SCHEMBL5210597 0.85 HRH3 (0.38) ALDH1A1HRH3L3MBTL1TUBB1SMN1; SMN2
SCHEMBL5203692 0.85 TNFRSF1A (0.37) ALDH1A1HRH3FYN
SCHEMBL5204558 0.85 FYN (0.40) BRD4TUBB1FYN
SCHEMBL5207615 0.84 SMPD3 (0.41) FYNAPP
SCHEMBL5203407 0.84 FYN (0.40) BRD4TUBB1FYN
Hydrochloric Acid SCHEMBL5208236 0.84 FYN (0.40) BRD4TUBB1FYN

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 ALDH1A1 2780/4885HRH3 32/4885TSHR 3200/4885

“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.