SCHEMBL26349204

SCHEMBL26349204

[N-]=[N+]=NCCOCCOCCOCCN1C(=N)c2cc(Oc3ccc4c(c3)C(=O)N(CCOCCOCCOCCN=[N+]=[N-])C4=O)ccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HSD17B10 Q99714 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.41
▸ LPAR3 Q9UBY5 2/20 0.40
▸ LPAR1 Q92633 1/20 0.40
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ABCG2 Q9UNQ0 6/20 0.35
▸ MGMT P16455 1/20 0.34

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
SCHEMBL26349201 0.81 KDM4E (0.49) ALDH1A1KDM4EMEN1HTTKMT2A
SCHEMBL29199650 0.78 HPGD (0.49) ALDH1A1KMT2AMAPK1TDP1HPGD
SCHEMBL26349189 0.78 MGMT (0.42) ALDH1A1KDM4EMEN1HTTKMT2A
SCHEMBL26349215 0.77 ALDH1A1 (0.38) ALDH1A1KDM4EPOLBHPGDNPSR1
SCHEMBL26349218 0.77 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ATDP1POLB
SCHEMBL14499669 0.77 HPGD (0.50) ALDH1A1KMT2AMAPK1TDP1HPGD
SCHEMBL26349212 0.75 MGMT (0.34) ALDH1A1KDM4EMEN1HTTKMT2A
SCHEMBL25486877 0.73 ALDH1A1 (0.55) ALDH1A1KDM4EMEN1HTTKMT2A
SCHEMBL18212282 0.70 MGMT (0.40) HPGDNPSR1ABCG2MGMT
SCHEMBL25486886 0.69 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1HTTKMT2A

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-20230303502-A1 HETEROARYL AND HETEROCYCLYL COMPOUNDS SIGILON THERAPEUTICS, INC. 2023-09-28 — — 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-20230303502-A1 HETEROARYL AND HETEROCYCLYL COMPOUNDS CYP3A43, CYP2C9, CYP2C19 ALDH1A1 296/4885KDM4E 4396/4885MEN1 264/4885

“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.

Send feedback