SCHEMBL21724059

SCHEMBL21724059

COc1nn(-c2cc(Br)ccn2)cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.38
KDM5A P29375 5/20 0.38
KDM5B Q9UGL1 5/20 0.38
KDM4C Q9H3R0 4/20 0.38
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SORT1 Q99523 3/20 0.35
MAP3K5 Q99683 2/20 0.35
CYP3A4 P08684 1/20 0.35
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
ACACB O00763 1/20 0.33

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
SCHEMBL21737864 0.89 MAP3K5 (0.35) ALDH1A1KDM4ESMN1; SMN2KDM5AKDM5B
SCHEMBL21723839 0.80 MAP3K5 (0.49) ALDH1A1KDM4ESMN1; SMN2HSD17B10LMNA
SCHEMBL21723755 0.77 MAP3K5 (0.48) ALDH1A1KDM4EKDM5AKDM5BKDM4C
SCHEMBL4134536 0.77 MEN1 (0.50) ALDH1A1KDM4ESMN1; SMN2HSD17B10LMNA
SCHEMBL3719228 0.74 ALKBH1 (0.43) ALDH1A1KDM4ESMN1; SMN2HSD17B10LMNA
SCHEMBL21723820 0.73 POLB (0.40) ALDH1A1KDM4ESMN1; SMN2HSD17B10LMNA
SCHEMBL23803909 0.72 LMNA (0.47) ALDH1A1KDM4ESMN1; SMN2LMNAHPGD
SCHEMBL4302539 0.72 L3MBTL1 (0.62) ALDH1A1KDM4ESMN1; SMN2HSD17B10LMNA
SCHEMBL19120306 0.69 L3MBTL1 (0.48) ALDH1A1KDM4ELMNAHPGDATM
SCHEMBL21724292 0.68 MAPK1 (0.53) ALDH1A1KDM4ESMN1; SMN2HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999715-B2 ASK1 inhibiting agents BIOGEN MA INC. (US) 2024-06-04 US disclosed
EP-3837251-B1 ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2023-06-21 EP disclosed
EP-3837251-B1 ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2023-06-21 EP disclosed
US-20210317103-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. 2021-10-14 US disclosed
US-20210317103-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. 2021-10-14 US disclosed
CN-113227070-A ASK1 inhibitors 比奥根MA公司 2021-08-06 CN disclosed
EP-3837251-A1 ASK1 INHIBITING AGENTS Biogen MA Inc. (US) 2021-06-23 EP disclosed
WO-2020036949-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. (US) 2020-02-20 WO disclosed
WO-2020036949-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. (US) 2020-02-20 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-20210317103-A1 ASK1 INHIBITING AGENTS MAP3K1, MAP3K6, MAP3K10 ALDH1A1 2482/4885KDM4E 2705/4885SMN1; SMN2 1164/4885
US-11999715-B2 ASK1 inhibiting agents MAP3K1, MAP3K6, MAP3K10 ALDH1A1 2482/4885KDM4E 2705/4885SMN1; SMN2 1164/4885

“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.