SCHEMBL30596191

SCHEMBL30596191

Oc1ccc(-c2ccccn2)cc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.50
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
CHEK2 O96017 1/20 0.46
KDM1A O60341 3/20 0.46
PDK2 Q15119 1/20 0.46
TGFBR1 P36897 1/20 0.45
CYP2A6 P11509 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
BCL2L1 Q07817 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
METAP1 P53582 1/20 0.43

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
SCHEMBL19780624 1.00 BACE1 (0.50) BACE1HSD17B1HSD17B2CHEK2KDM1A
SCHEMBL29028565 0.85 KDM1A (0.51) HSD17B1HSD17B2KDM1ATGFBR1ALDH1A1
Lithium SCHEMBL30459691 0.85 KDM1A (0.51) HSD17B1HSD17B2KDM1ATGFBR1ALDH1A1
SCHEMBL10756157 0.82 POLB (0.54) PDK2CYP2A6ALDH1A1HPGDLMNA
SCHEMBL28597250 0.82 MEN1 (0.55) KDM1AALDH1A1HPGDHSD17B10LMNA
SCHEMBL30834998 0.82 MEN1 (0.55) KDM1AALDH1A1HPGDHSD17B10LMNA
SCHEMBL28600301 0.81 KDM1A (0.51) KDM1AALDH1A1HPGDHSD17B10LMNA
SCHEMBL30835046 0.81 KDM1A (0.51) KDM1AALDH1A1HPGDHSD17B10LMNA
Bromide SCHEMBL11334286 0.80 POLB (0.52) PDK2CYP2A6ALDH1A1HPGDLMNA
SCHEMBL9974907 0.80 LMNA (0.52) TGFBR1CYP2A6ALDH1A1HPGDHSD17B10

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
US-12479873-B2 Metal complexes UDC Ireland (IE) 2025-11-25 US disclosed
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US 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 (3 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-12479873-B2 Metal complexes AP1M1, SOD1, AP3M1 BACE1 2970/4885HSD17B1 4416/4885HSD17B2 4256/4885
US-11713332-B2 Metal complexes AP1M1, SOD1, AP3M1 BACE1 2970/4885HSD17B1 4416/4885HSD17B2 4256/4885
US-20230322826-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 BACE1 2970/4885HSD17B1 4416/4885HSD17B2 4256/4885

“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.