SCHEMBL7110585

SCHEMBL7110585

CCON(C(N)=O)c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.45
TSHR P16473 3/20 0.43
ALDH1A1 P00352 6/20 0.42
HPGD P15428 2/20 0.42
CDC25B P30305 2/20 0.41
KDM4E B2RXH2 6/20 0.41
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 2/20 0.39
CDC25A P30304 1/20 0.39
CDC25C P30307 1/20 0.39
ALOX5 P09917 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL7206012 0.83 SIGMAR1 (0.46) SIGMAR1ALDH1A1KDM4EGAAALOX5
SCHEMBL27515197 0.76 SIGMAR1 (0.62) SIGMAR1TSHRALDH1A1KDM4ELMNA
SCHEMBL5510643 0.74 ALDH1A1 (0.44) TSHRALDH1A1HPGDLMNANPSR1
SCHEMBL1839015 0.74 SIGMAR1 (0.65) SIGMAR1KDM4EGAAALOX5
SCHEMBL9547530 0.73 SIGMAR1 (0.51) SIGMAR1TSHRALDH1A1HPGDKDM4E
SCHEMBL6685262 0.73 SIGMAR1 (0.48) SIGMAR1TSHRALDH1A1HPGDKDM4E
SCHEMBL27586726 0.73 SIGMAR1 (0.45) SIGMAR1TSHRALDH1A1HPGDKDM4E
SCHEMBL31558690 0.72 ALDH1A1 (0.52) TSHRALDH1A1HPGDCDC25BKDM4E
SCHEMBL3138343 0.72 SIGMAR1 (0.45) SIGMAR1TSHRALDH1A1HPGDCDC25B
SCHEMBL27713672 0.72 SIGMAR1 (0.41) SIGMAR1TSHRALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030130309-A1 Methods of treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-07-10 US claimed

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-20030130309-A1 Methods of treating cytokine mediated diseases IL2, IFNG, IL1A SIGMAR1 3047/4885TSHR 1924/4885ALDH1A1 259/4885

“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.