SCHEMBL21494529

SCHEMBL21494529

[Ti]c1cc2ccccc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
CYP2A6 P11509 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
HSD17B10 Q99714 2/20 0.48
FLT3 P36888 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
MGLL Q99685 1/20 0.48
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TYR P14679 1/20 0.47
DAO P14920 1/20 0.47
AKR1B1 P15121 1/20 0.47
POLB P06746 1/20 0.47
CA2 P00918 2/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
MAOB P27338 5/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAOA P21397 1/20 0.44

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
SCHEMBL30036439 0.74 MAOB (0.63) KDM4ECYP2A6TDP1HSD17B10FLT3
SCHEMBL103158 0.74 MAOB (0.63) KDM4ECYP2A6TDP1HSD17B10FLT3
SCHEMBL9811957 0.72 ACHE (0.54) KDM4ECYP2A6TDP1HSD17B10FLT3
SCHEMBL1009796 0.70 MAOB (0.48) KDM4ECYP2A6TDP1HSD17B10FLT3
SCHEMBL21179480 0.70 MAOB (0.48) KDM4ECYP2A6TDP1HSD17B10FLT3
SCHEMBL316744 0.70 KDM4E (0.48) KDM4ECYP2A6TDP1HSD17B10FLT3
SCHEMBL686830 0.70 KDM4E (0.54) KDM4ECYP2A6TDP1HSD17B10FLT3
SCHEMBL2057444 0.70 KDM4E (0.48) KDM4ECYP2A6TDP1HSD17B10FLT3
SCHEMBL12264 0.70 KDM4E (0.48) KDM4ECYP2A6TDP1HSD17B10FLT3
SCHEMBL8874655 0.70 KDM4E (0.48) KDM4ECYP2A6TDP1HSD17B10FLT3

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
CN-111989336-B Metal complexes comprising amidine and indole fused cyclopentadienyl ligands 阿朗新科荷兰有限公司 2023-07-07 CN disclosed
US-11560394-B2 Metal complex comprising amidine and indole fused cyclopentadienyl ligands ARLANXEO NETHERLANDS B.V. 2023-01-24 US disclosed
EP-3781582-A1 METAL COMPLEX COMPRISING AMIDINE AND INDOLE FUSED CYCLOPENTADIENYL LIGANDS Arlanxeo Netherlands B.V. (NL) 2021-02-24 EP disclosed
CN-111989336-A Metal complexes comprising amidine and indole fused cyclopentadienyl ligands 阿朗新科荷兰有限公司 2020-11-24 CN disclosed
WO-2019203676-A1 METAL COMPLEX COMPRISING AMIDINE AND INDOLE FUSED CYCLOPENTADIENYL LIGANDS ARLANXEO NETHERLANDS B.V. (NL) 2019-10-24 WO disclosed
WO-2019201838-A1 METAL COMPLEX COMPRISING AMIDINE AND INDOLE FUSED CYCLOPENTADIENYL LIGANDS ARLANXEO NETHERLANDS B.V. (NL) 2019-10-24 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-11560394-B2 Metal complex comprising amidine and indole fused cyclopentadienyl ligands C5, C1S, CLIC4 KDM4E 1589/4885CYP2A6 4299/4885TDP1 4705/4885

“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.