SCHEMBL20183559

SCHEMBL20183559

COC(=O)c1ccccc1-c1ccc(CNc2ccccc2F)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.60
SLC6A4 P31645 3/20 0.60
BDKRB1 P46663 12/20 0.58
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HTT P42858 1/20 0.48
SLC6A2 P23975 1/20 0.48
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47

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
SCHEMBL20183509 0.83 CA1 (0.56) NPC1HPGDRAB9AKMT2ASMN1; SMN2
SCHEMBL3126366 0.82 SLC6A3 (0.58) SLC6A3SLC6A4BDKRB1SLC6A2
SCHEMBL15761732 0.81 CA1 (0.60) NPC1HPGDRAB9AKMT2ASMN1; SMN2
SCHEMBL15755350 0.81 KDM4E (0.48) NPC1HPGDRAB9AKMT2ASMN1; SMN2
SCHEMBL15761758 0.81 KDM4E (0.48) NPC1HPGDRAB9AKMT2ASMN1; SMN2
SCHEMBL5061628 0.79 SLC6A3 (0.61) SLC6A3SLC6A4BDKRB1SMN1; SMN2SLC6A2
SCHEMBL1715126 0.79 MAPT (0.60) SLC6A3SLC6A4NPC1HPGDKMT2A
SCHEMBL8871967 0.78 SLC6A3 (0.69) SLC6A3SLC6A4BDKRB1SLC6A2
SCHEMBL3112718 0.78 SLC6A3 (0.69) SLC6A3SLC6A4BDKRB1KMT2ASLC6A2
SCHEMBL29979869 0.78 SLC6A3 (0.69) SLC6A3SLC6A4BDKRB1SLC6A2

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
EP-3327001-B1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT UNIV DONGGUK IND ACAD COOP (KR) 2022-04-13 EP disclosed
CN-108349875-B Compound having BLT inhibitory activity and composition for preventing or treating inflammatory disease comprising the same as active ingredient 东国大学校产学协力团 2021-08-27 CN disclosed
US-20180215706-A1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2018-08-02 US disclosed
EP-3327001-A1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT Dongguk University Industry-Academic Cooperation Foundation (KR) 2018-05-30 EP 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-20180215706-A1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT LTB4R2, CYSLTR2, LTB4R SLC6A3 4540/4885SLC6A4 3712/4885BDKRB1 71/4885

“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.