SCHEMBL26795012

SCHEMBL26795012

C=C(C)Nc1ccc2c(c1)S/C(=C\C(C)=C\c1sc3cc(NC(C)=O)ccc3[n+]1CC)N2CC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 1/20 0.57
▸ MEN1 O00255 7/20 0.56
▸ KMT2A Q03164 7/20 0.56
▸ HTT P42858 5/20 0.56
▸ NPC1 O15118 5/20 0.56
▸ RAB9A P51151 5/20 0.56
▸ BLM P54132 4/20 0.56
▸ MAPT P10636 4/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ POLB P06746 3/20 0.56
▸ RECQL P46063 3/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ APAF1 O14727 2/20 0.56
▸ THRB P10828 2/20 0.56
▸ PKM P14618 2/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ PLA2G1B P04054 1/20 0.56
▸ CDK5 Q00535 1/20 0.56

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
Iodide SCHEMBL29556328 0.95 MEN1 (0.62) NSD2MEN1KMT2AHTTNPC1
Iodide SCHEMBL26664736 0.95 MEN1 (0.62) NSD2MEN1KMT2AHTTNPC1
SCHEMBL24327002 0.82 PRMT1 (0.66) NSD2MEN1KMT2AHTTNPC1
Iodide SCHEMBL26664786 0.82 PRMT1 (0.68) NSD2MEN1KMT2AHTTNPC1
Iodide SCHEMBL29556211 0.82 PRMT1 (0.68) NSD2MEN1KMT2AHTTNPC1
SCHEMBL6426499 0.73 NSD2 (1.00) NSD2MEN1KMT2AHTTNPC1
SCHEMBL10035965 0.73 NSD2 (1.00) NSD2MEN1KMT2AHTTNPC1
SCHEMBL29349411 0.73 NSD2 (1.00) NSD2MEN1KMT2AHTTNPC1
SCHEMBL2409472 0.73 NSD2 (1.00) NSD2MEN1KMT2AHTTNPC1
Bromide SCHEMBL9192803 0.73 NSD2 (0.98) NSD2MEN1KMT2AHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372310-A1 Flavi-Block: A Pan-Flavivirus Inhibitor BADEN-WÜRTTEMBERG STIFTUNG GMBH (DE) 2023-11-23 — — 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 (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-20230372310-A1 Flavi-Block: A Pan-Flavivirus Inhibitor MAVS, EIF2AK2, BLVRB NSD2 1231/4885MEN1 4451/4885KMT2A 1614/4885

“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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