SCHEMBL20183670

SCHEMBL20183670

COc1ccc(-c2ccc(CNc3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
MAPT P10636 5/20 0.54
GAA P10253 3/20 0.54
ALDH1A1 P00352 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
VNN1 O95497 1/20 0.52
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TP53 P04637 2/20 0.51
KDR P35968 1/20 0.51
ACP1 P24666 1/20 0.51
APP P05067 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL10055021 0.84 NPSR1 (0.55) MAPTGAAALDH1A1TDP1LMNA
SCHEMBL20183469 0.82 MAPT (0.60) HDAC1HDAC8HDAC6MAPTGAA
SCHEMBL1391768 0.80 APP (0.57) HDAC1HDAC8HDAC6MAPTTDP1
SCHEMBL11116081 0.80 MAPT (0.59) MAPTGAAALDH1A1TDP1LMNA
SCHEMBL20183484 0.80 MAPT (0.55) HDAC1HDAC8HDAC6MAPTGAA
SCHEMBL28548736 0.79 MAPT (0.64) MAPTGAAALDH1A1TDP1NPC1
SCHEMBL30480895 0.78 MAPT (0.64) HDAC1HDAC8HDAC6MAPTGAA
SCHEMBL14689659 0.78 MAPT (0.64) HDAC1HDAC8HDAC6MAPTGAA
SCHEMBL20183471 0.78 HIF1A (0.68) MAPTGAAALDH1A1TDP1NPC1
SCHEMBL5605032 0.78 MAPT (0.62) MAPTGAAALDH1A1VNN1LMNA

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 3 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
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 HDAC1 3162/4885HDAC8 2918/4885HDAC6 2979/4885

“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.