SCHEMBL27213622

SCHEMBL27213622

CCCCOc1nc(CNCc2ccccc2CN2CCCC2)c(NC(=O)O)c(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
CCR3 P51677 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
ADAM17 P78536 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FAAH O00519 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
MCHR1 Q99705 1/20 0.35
CXCR4 P61073 1/20 0.35
TSHR P16473 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 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
SCHEMBL30947353 0.91 MEN1 (0.36) MEN1KMT2AGAACCR3HRH3
SCHEMBL24732683 0.91 MEN1 (0.36) MEN1KMT2AGAACCR3HRH3
SCHEMBL27213619 0.90 TLR7 (0.42) MEN1KMT2AHRH3MMP1MMP9
SCHEMBL27213597 0.88 PTGDR (0.37) HRH3MMP1MMP9MMP13ADAM17
SCHEMBL28802697 0.87 TLR7 (0.38) MEN1KMT2AGAACCR3HRH3
SCHEMBL27213599 0.86 MEN1 (0.41) MEN1KMT2ATLR7TSHR
SCHEMBL27213626 0.86 POLB (0.40) KMT2AHRH3BCHEACHE
SCHEMBL24732885 0.82 TSHR (0.38) KMT2AHRH3MMP1MMP9MMP13
SCHEMBL24732916 0.81 TLR7 (0.39) MMP1MMP9MMP13ADAM17TLR7
SCHEMBL30947335 0.81 TLR7 (0.39) MMP1MMP9MMP13ADAM17TLR7

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-20240150346-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF INNOVSTONE THERAPEUTICS LIMITED (CN) 2024-05-09 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-20240150346-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF TLR7, TLR1, TLR8 MEN1 2988/4885KMT2A 2443/4885GAA 1462/4885

“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.