SCHEMBL7945209

SCHEMBL7945209

COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1I

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.55
RXFP1 Q9HBX9 1/20 0.53
KMT2A Q03164 1/20 0.53
HTT P42858 1/20 0.53
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ABCB1 P08183 1/20 0.49
MAPT P10636 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
UTS2R Q9UKP6 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
PABPC1 P11940 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL4854039 0.87 NR1H3 (0.62) CASP3RXFP1KMT2AHTTLMNA
SCHEMBL6777806 0.83 RXFP1 (0.60) CASP3RXFP1KMT2AHTTKDM4E
SCHEMBL18669081 0.83 TDP1 (0.70) CASP3RXFP1KMT2AHTTKDM4E
SCHEMBL10926180 0.81 CASP3 (0.56) CASP3RXFP1KMT2AHTTMAPT
SCHEMBL31689407 0.81 HPGD (0.55) CASP3KMT2AHTTPOLBTSHR
SCHEMBL6774012 0.81 RXFP1 (0.61) CASP3RXFP1KMT2AHTTKDM4E
SCHEMBL3024201 0.80 CASP3 (0.58) CASP3RXFP1KMT2AHTTKDM4E
SCHEMBL6336921 0.80 CASP3 (0.58) CASP3RXFP1KMT2AHTTKDM4E
SCHEMBL2030026 0.80 ALDH1A1 (0.55) CASP3RXFP1KMT2AHTTKDM4E
SCHEMBL24422983 0.80 CASP3 (0.51) CASP3RXFP1KMT2AHTTKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
WO-2010054278-A2 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2010-05-14 WO 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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 CASP3 558/4885RXFP1 1703/4885KMT2A 4253/4885

“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.