SCHEMBL21494513

SCHEMBL21494513

[Ti].[c]1c[nH]c2ccccc12

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
AHR P35869 1/20 0.32
ADK P55263 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GPR3 P46089 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2A6 P11509 1/20 0.30
IMPDH2 P12268 1/20 0.30

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
SCHEMBL8197762 0.97 CA1 (0.33) TRPA1CA1CA2ITGB2ICAM1
SCHEMBL27656907 0.95
SCHEMBL2258569 0.75
SCHEMBL1399575 0.65 NOS1 (0.35)
SCHEMBL207535 0.65 AHR (0.42) AHRALDH1A1CYP2A6IMPDH2
SCHEMBL2971945 0.65 KDM4E (0.35) ALDH1A1CYP2A6IMPDH2
SCHEMBL207776 0.65 AHR (0.42) AHRALDH1A1
SCHEMBL208707 0.65 AHR (0.42) AHR
SCHEMBL3353907 0.65 ALDH1A1 (0.41) AHRALDH1A1GPR3HSD17B10CYP2A6
SCHEMBL1091810 0.65 NPSR1 (0.42) ALDH1A1

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
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-2019201838-A1 METAL COMPLEX COMPRISING AMIDINE AND INDOLE FUSED CYCLOPENTADIENYL LIGANDS ARLANXEO NETHERLANDS B.V. (NL) 2019-10-24 WO disclosed
WO-2019203676-A1 METAL COMPLEX COMPRISING AMIDINE AND INDOLE FUSED CYCLOPENTADIENYL LIGANDS ARLANXEO NETHERLANDS B.V. (NL) 2019-10-24 WO disclosed
CN-1145370-A Olefin polymerization catalyst and process for producing polyolefin using the same SUMITOMO CHEMICAL CO (JP) 1997-03-19 CN 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 TRPA1 422/4885CA1 1176/4885CA2 642/4885

“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.