SCHEMBL17440697

SCHEMBL17440697

COc1ccc(COc2cc(F)c(C=O)c(Br)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
APP P05067 7/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAOB P27338 4/20 0.43
POLB P06746 1/20 0.43
SMPD1 P17405 1/20 0.42
FFAR1 O14842 2/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL15487329 0.92 NPC1 (0.57) NPC1RAB9ATDP1APPSMN1; SMN2
SCHEMBL31166913 0.86 NPC1 (0.52) NPC1RAB9ATDP1APPSMN1; SMN2
SCHEMBL20607956 0.86 MAOB (0.49) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL17441687 0.82 NPC1 (0.47) NPC1RAB9ATDP1APPSMN1; SMN2
SCHEMBL17440686 0.81 ERN1 (0.44) ALDH1A1LMNA
SCHEMBL4706617 0.79 NPC1 (0.59) NPC1RAB9ATDP1APPSMN1; SMN2
SCHEMBL13377762 0.79 NPC1 (0.58) NPC1RAB9ATDP1APPSMN1; SMN2
SCHEMBL28624326 0.78 LMNA (0.47) ALDH1A1LMNAPOLB
SCHEMBL190181 0.78 MAOB (0.55) NPC1RAB9ATDP1APPSMN1; SMN2
SCHEMBL1250536 0.77 NPC1 (0.57) NPC1RAB9ATDP1APPSMN1; SMN2

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 7 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
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
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 NPC1 1851/4885RAB9A 3499/4885TDP1 626/4885
US-20170204093-A1 IRAK4 INHIBITING AGENTS IRAK4, IRAK1, IRAK2 NPC1 1851/4885RAB9A 3499/4885TDP1 626/4885
US-20190248787-A1 IRAK4 INHIBITING AGENTS IRAK4, IRAK1, IRAK2 NPC1 2031/4885RAB9A 3663/4885TDP1 526/4885
US-10577367-B2 IRAK4 inhibiting agents IRAK4, IRAK1, IRAK2 NPC1 2031/4885RAB9A 3663/4885TDP1 526/4885

“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.