SCHEMBL26672083

SCHEMBL26672083

O=C=Nc1cccc(C2CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HDAC4 P56524 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ CYP3A4 P08684 3/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ KMO O15229 1/20 0.38
▸ HTR2C P28335 6/20 0.36
▸ NOTUM Q6P988 2/20 0.36
▸ TSHR P16473 1/20 0.34
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ KDM2B Q8NHM5 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ADRA1B P35368 1/20 0.32
▸ TRPV6 Q9H1D0 1/20 0.32

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
SCHEMBL11344825 0.91 KMO (0.49) MAPK1TDP1HDAC4HDAC2HDAC8
SCHEMBL22966418 0.91 KMO (0.49) MAPK1TDP1HDAC4HDAC2HDAC8
SCHEMBL10615043 0.77 TDP1 (0.54) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL27873 0.77 TDP1 (0.54) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL16345263 0.76 CYP3A4 (0.48) MAPK1TDP1HDAC8CYP3A4TRPA1
SCHEMBL27621561 0.75 TDP1 (0.52) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL162457 0.75 MAPK1 (0.38) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL6935362 0.74 HTR2C (0.52) HDAC4HDAC2HDAC8KMOHTR2C
Ethylene SCHEMBL10425506 0.73 TDP1 (0.50) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL13359882 0.73 CYP3A4 (0.38) MAPK1TDP1CYP3A4TRPA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250353853-A1 FLAVIVIRUS INHIBITORS IRBM S.P.A. (IT) 2025-11-20 — — US disclosed
EP-4532476-A1 FLAVIVIRUS INHIBITORS IRBM S.P.A. (IT) 2025-04-09 — — EP disclosed
CN-119630645-A Flavivirus inhibitors IRBM股份公司 2025-03-14 — — CN disclosed
WO-2023227734-A1 FLAVIVIRUS INHIBITORS IRBM S.P.A. (IT) 2023-11-30 — — 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-20250353853-A1 FLAVIVIRUS INHIBITORS SPINT2, EIF2AK2, DDX5 MAPK1 1802/4885TDP1 2021/4885HDAC4 353/4885

“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.

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