SCHEMBL5203320

SCHEMBL5203320

COc1cc(-c2ccc(C(C)(N)CCN(C)CCC(C)(N)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
KDM1A O60341 3/20 0.33
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
TDO2 P48775 2/20 0.33
IDO1 P14902 1/20 0.33
SCN9A Q15858 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AAK1 Q2M2I8 3/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
DHFR P00374 1/20 0.32
GAK O14976 1/20 0.31
RIPK2 O43353 1/20 0.31
STK16 O75716 1/20 0.31
EGFR P00533 1/20 0.31
BMP2K Q9NSY1 1/20 0.31
NLK Q9UBE8 1/20 0.31
IRAK3 Q9Y616 1/20 0.31
FYN P06241 2/20 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 SCHEMBL5208557 0.99 KDM1A (0.33) KDM1AALOX5APFEN1TDO2IDO1
SCHEMBL5207116 0.89 HSP90AA1 (0.39) TDO2HSP90AA1HSP90AB1FYNNEK2
SCHEMBL5204565 0.78 HSP90AA1 (0.41) TDO2AAK1HSP90AA1HSP90AB1GAK
SCHEMBL5207785 0.78 KDM1A (0.33) KDM1AALOX5APFEN1SCN9AAAK1
Hydrochloric Acid SCHEMBL5208243 0.77 HSP90AA1 (0.40) TDO2AAK1HSP90AA1HSP90AB1GAK
SCHEMBL5203600 0.77 SCN9A (0.36) KDM1ATDO2IDO1SCN9ASMN1; SMN2
SCHEMBL5203313 0.77 SCN9A (0.33) KDM1ASCN9AAAK1DHFRGAK
SCHEMBL5206025 0.77 KDM1A (0.42) KDM1AALOX5APFEN1SCN9AHSP90AA1
Hydrochloric Acid SCHEMBL5204974 0.76 SCN9A (0.33) KDM1ASCN9AAAK1DHFRGAK
SCHEMBL5207778 0.76 CYP17A1 (0.36) KDM1ASCN9A

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 KDM1A 2363/4885ALOX5AP 1329/4885FEN1 2449/4885

“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.