SCHEMBL21610145

SCHEMBL21610145

COc1ccc(Oc2cc(Br)ncn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.49
▸ MAP4K4 O95819 1/20 0.44
▸ RAB9A P51151 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ HAO1 Q9UJM8 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 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
SCHEMBL21610188 0.86 SMN1; SMN2 (0.52) L3MBTL1MAP4K4RAB9ANPC1HTT
SCHEMBL21610190 0.85 KDM4E (0.51) L3MBTL1RAB9ANPC1MEN1KMT2A
SCHEMBL12825877 0.82 L3MBTL1 (0.44) L3MBTL1MAP4K4RAB9ANPC1NPSR1
SCHEMBL21610264 0.81 CYP1A1 (0.40) L3MBTL1RAB9ANPC1MEN1KMT2A
SCHEMBL21610260 0.81 CYP1A1 (0.37) MAP4K4RAB9ANPC1MEN1KMT2A
SCHEMBL21610241 0.81 DRD1 (0.38) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL21610229 0.81 RAF1 (0.39) ALDH1A1KDM4EHAO1SMN1; SMN2CASP3
SCHEMBL21610192 0.81 NPC1 (0.37) L3MBTL1RAB9ANPC1MEN1KMT2A
SCHEMBL22412860 0.80 — —
SCHEMBL21610170 0.79 HAO1 (0.47) L3MBTL1RAB9ANPC1HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3947365-B1 SUBSTITUTED-N-HETEROARYL COMPOUNDS AND USES THEREOF BIONOMICS LTD (AU) 2025-10-01 — — EP disclosed
US-12139473-B2 Substituted-N-heteroaryl compounds and uses thereof BIONOMICS LIMITED (AU) 2024-11-12 — — US disclosed
US-20220112176-A1 SUBSTITUTED-N-HETEROARYL COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2022-04-14 — — US disclosed
US-20220112176-A1 SUBSTITUTED-N-HETEROARYL COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2022-04-14 — — US disclosed
EP-3947365-A2 SUBSTITUTED-N-HETEROARYL COMPOUNDS AND USES THEREOF Bionomics Limited (AU) 2022-02-09 — — EP disclosed
WO-2020000065-A2 SUBSTITUTED-N-HETEROARYL COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2020-01-02 — — WO disclosed
WO-2020000065-A2 SUBSTITUTED-N-HETEROARYL COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2020-01-02 — — 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-20220112176-A1 SUBSTITUTED-N-HETEROARYL COMPOUNDS AND USES THEREOF GABRE, GRIN2C, GRIN2A L3MBTL1 2809/4885MAP4K4 2743/4885RAB9A 1802/4885
US-12139473-B2 Substituted-N-heteroaryl compounds and uses thereof SCN3A, KCND3, GRIN3A L3MBTL1 2240/4885MAP4K4 1039/4885RAB9A 553/4885

“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.

Send feedback