SCHEMBL20575879

SCHEMBL20575879

O=C(Cl)c1ccc(OCCN2CCOCC2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
HTT P42858 2/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 4/20 0.51
HTR2A P28223 2/20 0.51
TSHR P16473 2/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.49
EPHX2 P34913 2/20 0.48
CD274 Q9NZQ7 1/20 0.48
INSR P06213 1/20 0.48
AXL P30530 1/20 0.48
TP53 P04637 1/20 0.47
ATM Q13315 1/20 0.47
KMO O15229 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
SCHEMBL18707215 0.89 KDR (0.55) KDRALDH1A1MAPTHTTMEN1
SCHEMBL22842949 0.88 KDR (0.52) KDRALDH1A1MAPTHTTMEN1
SCHEMBL4897162 0.88 KDR (0.54) KDRALDH1A1MAPTHTTMEN1
SCHEMBL15876465 0.88 LTA4H (0.54) KDRMEN1KMT2AKDM4ETSHR
Hydrochloric Acid SCHEMBL20574681 0.87 ALDH1A1 (0.53) KDRALDH1A1MAPTHTTMEN1
Hydrochloric Acid SCHEMBL228093 0.86 LTA4H (0.53) KDRMEN1KMT2AKDM4ETSHR
Hydrochloric Acid SCHEMBL224259 0.86 LTA4H (0.53) KDRMEN1KMT2AKDM4ETSHR
SCHEMBL5562205 0.84 SMN1; SMN2 (0.55) KDRALDH1A1MAPTHTTMEN1
SCHEMBL18707352 0.80 SMN1; SMN2 (0.52) KDRALDH1A1MAPTHTTMEN1
SCHEMBL990939 0.79 GAA (0.71) ALDH1A1MAPTKMT2AKDM4ETSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630100-A1 FUSED BICYCLIC COMPOUNDS Akarna Therapeutics, Ltd. (GB) 2020-04-08 EP claimed
WO-2018222876-A1 FUSED BICYCLIC COMPOUNDS AKARNA THERAPEUTICS, LTD. (GB) 2018-12-06 WO claimed
US-20200407364-A1 FUSED BICYCLIC COMPOUNDS AKARNA THERAPEUTICS LTD (GB) 2020-12-31 US disclosed
EP-3630100-A1 FUSED BICYCLIC COMPOUNDS Akarna Therapeutics, Ltd. (GB) 2020-04-08 EP disclosed
US-20180346473-A1 FUSED BICYCLIC COMPOUNDS AKARNA THERAPEUTICS, LTD. (TW) 2018-12-06 US disclosed
WO-2018222876-A1 FUSED BICYCLIC COMPOUNDS AKARNA THERAPEUTICS, LTD. (GB) 2018-12-06 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 (2 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-20180346473-A1 FUSED BICYCLIC COMPOUNDS BICRA, PAICS, NDC1 KDR 2570/4885ALDH1A1 3163/4885MAPT 2404/4885
US-20200407364-A1 FUSED BICYCLIC COMPOUNDS BICRA, PAICS, NDC1 KDR 2570/4885ALDH1A1 3163/4885MAPT 2404/4885

“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.