SCHEMBL5204232

SCHEMBL5204232

COc1cccc(OC)c1-c1ccc(N(C)CCN(C)c2ccc(-c3c(OC)cccc3OC)nc2)cn1.CS(=O)(=O)O.CS(=O)(=O)O

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A known ✓ P08908 1/20 0.35
HTR7 P34969 2/20 0.42
ALDH1A1 P00352 1/20 0.37
ALPL P05186 1/20 0.36
NR3C1 P04150 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 3/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
FGFR4 P22455 1/20 0.35
FGFR1 P11362 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 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
SCHEMBL5211133 0.90 HTR7 (0.49) HTR7ALDH1A1SMN1; SMN2HTR1A
SCHEMBL5209033 0.89 MTNR1A (0.38) ALDH1A1ALPLPOLBHTTSMN1; SMN2
SCHEMBL5208370 0.87 ADORA3 (0.41) ALDH1A1KDM4EMAPK1POLBHTT
SCHEMBL5202996 0.83 FYN (0.41) ALDH1A1MAPK1
SCHEMBL5203564 0.83 MAPT (0.35) FGFR4FGFR1MEN1KMT2AGAA
SCHEMBL5208394 0.83 MELK (0.40)
SCHEMBL5210532 0.82 FGFR1 (0.40) ALDH1A1FGFR4FGFR1MEN1KMT2A
SCHEMBL5208977 0.82 KDM1A (0.41) FGFR4FGFR1
SCHEMBL5204365 0.81 TLR9 (0.42) ALPLMAPK1POLBTP53
SCHEMBL5210798 0.80 KMT2A (0.35) ALDH1A1POLBFGFR4FGFR1MEN1

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 HTR1A 2056/4885HTR7 2399/4885ALDH1A1 2780/4885

“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.