SCHEMBL20472002

SCHEMBL20472002

COC(=O)c1cc(Br)ccc1OCCCCN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
KDM4E B2RXH2 8/20 0.45
ALDH1A1 P00352 3/20 0.45
HSP90AA1 P07900 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
NR4A2 P43354 1/20 0.42
GAA P10253 1/20 0.41
BACE1 P56817 1/20 0.41

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
SCHEMBL20471994 0.99 HSD17B10 (0.46) HSD17B10PTGDR2KDM4EALDH1A1HSP90AA1
SCHEMBL20471949 0.96 HSD17B10 (0.48) HSD17B10PTGDR2KDM4EALDH1A1HSP90AA1
SCHEMBL16997485 0.92 HSD17B10 (0.49) HSD17B10PTGDR2KDM4EALDH1A1HSP90AA1
SCHEMBL20471958 0.89 TDP1 (0.43) HSD17B10KDM4EALDH1A1HSP90AA1MAPT
SCHEMBL2772497 0.86 SMN1; SMN2 (0.49) HSD17B10PTGDR2KDM4EALDH1A1HSP90AA1
SCHEMBL17959008 0.84 TDP1 (0.44) HSD17B10KDM4EALDH1A1HSP90AA1MAPT
SCHEMBL22176359 0.84 MAPT (0.59) HSD17B10KDM4EALDH1A1HSP90AA1MAPT
SCHEMBL4600210 0.84 HPGD (0.51) HSD17B10PTGDR2KDM4EALDH1A1HSP90AA1
Hydrochloric Acid SCHEMBL22164224 0.83 MAPT (0.57) HSD17B10KDM4EALDH1A1HSP90AA1MAPT
SCHEMBL22175914 0.83 MAPT (0.50) KDM4EALDH1A1HSP90AA1MAPTKMT2A

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
EP-3580224-B1 ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2022-07-13 EP disclosed
EP-3580224-B1 ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2022-07-13 EP disclosed
US-11168095-B2 ASK1 inhibiting agents BIOGEN MA INC. (US) 2021-11-09 US disclosed
US-11168095-B2 ASK1 inhibiting agents BIOGEN MA INC. (US) 2021-11-09 US disclosed
WO-2018148204-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. (US) 2018-08-16 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 (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-11168095-B2 ASK1 inhibiting agents MAP3K1, MAP3K10, MAP3K20 HSD17B10 2945/4885PTGDR2 4066/4885KDM4E 2991/4885

“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.