SCHEMBL5209995

SCHEMBL5209995

COc1cc(I)cc(OC)c1C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.53
MAPK1 P28482 2/20 0.53
USP2 O75604 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.44
GAA P10253 1/20 0.42
CA9 Q16790 2/20 0.40
TNFSF11 O14788 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
APP P05067 1/20 0.38

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
SCHEMBL5208678 0.83 CA12 (0.57) CYP3A4MAPK1USP2SMN1; SMN2LMNA
SCHEMBL5274484 0.81 MAP2K1 (0.48) CYP3A4MAPK1USP2SMN1; SMN2KMT2A
SCHEMBL4743848 0.80 CYP3A4 (0.66) CYP3A4MAPK1USP2SMN1; SMN2KMT2A
SCHEMBL2029772 0.80 CYP3A4 (0.78) CYP3A4MAPK1USP2SMN1; SMN2KMT2A
SCHEMBL12248741 0.80 CYP3A4 (0.60) CYP3A4MAPK1USP2SMN1; SMN2KMT2A
SCHEMBL23327143 0.78 MAPK1 (0.53) CYP3A4MAPK1USP2SMN1; SMN2KMT2A
SCHEMBL23327273 0.78 CYP3A4 (0.53) CYP3A4MAPK1USP2SMN1; SMN2KMT2A
SCHEMBL116728 0.78 CYP3A4 (0.53) CYP3A4MAPK1USP2SMN1; SMN2KMT2A
SCHEMBL23327352 0.78 CYP3A4 (0.53) CYP3A4MAPK1USP2SMN1; SMN2KMT2A
SCHEMBL24488712 0.78 TSHR (0.52) CYP3A4MAPK1USP2SMN1; SMN2KMT2A

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 CYP3A4 2455/4885MAPK1 403/4885USP2 3590/4885

“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.