SCHEMBL9980694

SCHEMBL9980694

CCCCC(C)Nc1cc(C)nc2c1NC(=O)CN2Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
CRHR1 P34998 13/20 0.38
EPHX2 P34913 1/20 0.37

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
SCHEMBL7432507 0.77 CRHR1 (0.48) CRHR1
SCHEMBL9980693 0.77 CRHR1 (0.62) CRHR1
SCHEMBL3805125 0.77 CRHR1 (0.64) CRHR1
SCHEMBL9980933 0.76 CRHR1 (0.65) CRHR1
SCHEMBL9980718 0.76 CRHR1 (0.65) CRHR1
SCHEMBL3788649 0.74 CRHR1 (0.51) CRHR1
SCHEMBL18532674 0.70 TLR7 (0.77) TLR8TLR7
SCHEMBL25092903 0.66 EPHX2 (0.50) ALDH1A1TLR8TLR7EPHX2
SCHEMBL23805538 0.66 EPHX2 (0.50) ALDH1A1TLR8TLR7EPHX2
SCHEMBL26080263 0.65 TLR7 (0.79) TLR8TLR7

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
US-20140179919-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT EMORY UNIVERSITY (US) 2014-06-26 US disclosed
US-20130287687-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT UNIV EMORY (US) 2013-10-31 US disclosed
US-8551996-B2 Compounds, compositions, methods of synthesis, and methods of treatment EMORY UNIVERSITY (US) 2013-10-08 US disclosed
US-20110305636-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT EMORY UNIVERSITY (US) 2011-12-15 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 (3 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-20140179919-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT CRH, CRHR1, CRHR2 ALDH1A1 2345/4885TLR8 2356/4885TLR7 1583/4885
US-20110305636-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT CRH, CRHR1, CRHR2 ALDH1A1 2772/4885TLR8 1902/4885TLR7 1015/4885
US-20130287687-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT CRH, CRHR1, CRHR2 ALDH1A1 2345/4885TLR8 2356/4885TLR7 1583/4885

“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.