SCHEMBL17440495

SCHEMBL17440495

O=C(O)NC(CCCO)c1cccc(Br)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
USP9X Q93008 2/20 0.37
UCHL1 P09936 1/20 0.37
USP5 P45974 1/20 0.37
CTSA P10619 1/20 0.37
S1PR2 O95136 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR3 Q99500 1/20 0.35
STAT3 P40763 1/20 0.33
GRM5 P41594 1/20 0.33
PPARG P37231 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
CCR3 P51677 1/20 0.32
FAAH O00519 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL12342046 0.81 MAPT (0.40) ALDH1A1HPGDIRAK4LMNA
SCHEMBL17440955 0.79 CTSA (0.40) ALDH1A1HPGDUSP9XUCHL1USP5
SCHEMBL17440700 0.79 IRAK4 (0.35) ALDH1A1HPGDUSP9XUCHL1USP5
SCHEMBL19124365 0.77 CTSA (0.39) ALDH1A1HPGDUSP9XUCHL1USP5
SCHEMBL16397013 0.73 STAT3 (0.42) ALDH1A1HPGDCTSAS1PR2S1PR4
SCHEMBL12342019 0.73 IRAK4 (0.38) ALDH1A1HPGDIRAK4LMNA
SCHEMBL2359345 0.72 CYP26A1 (0.46) ALDH1A1HPGDCTSACCR3LMNA
SCHEMBL17846092 0.72 CCR3 (0.50) ALDH1A1CCR3LMNA
SCHEMBL17440496 0.70 ALDH1A1 (0.40) ALDH1A1HPGDCTSAS1PR2S1PR4
SCHEMBL67946 0.70 IRAK4 (0.39) ALDH1A1HPGDUSP9XUCHL1USP5

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-10577367-B2 IRAK4 inhibiting agents BIOGEN MA INC. (US) 2020-03-03 US disclosed
US-20190248787-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2019-08-15 US disclosed
US-10246456-B2 IRAK4 inhibiting agents BIOGEN MA INC. (US) 2019-04-02 US disclosed
US-20170204093-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2017-07-20 US disclosed
WO-2016011390-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. (US) 2016-01-21 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 (4 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-10246456-B2 IRAK4 inhibiting agents IRAK4, IRAK1, IRAK2 ALDH1A1 3021/4885HPGD 4658/4885USP9X 1089/4885
US-20170204093-A1 IRAK4 INHIBITING AGENTS IRAK4, IRAK1, IRAK2 ALDH1A1 3021/4885HPGD 4658/4885USP9X 1089/4885
US-20190248787-A1 IRAK4 INHIBITING AGENTS IRAK4, IRAK1, IRAK2 ALDH1A1 3110/4885HPGD 4619/4885USP9X 1017/4885
US-10577367-B2 IRAK4 inhibiting agents IRAK4, IRAK1, IRAK2 ALDH1A1 3110/4885HPGD 4619/4885USP9X 1017/4885

“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.