SCHEMBL9979223

SCHEMBL9979223

Nc1nc2c(c3c1nc1n3[C@@H](CCCNS(=O)(=O)c3ccccc3)COC1)CCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
MMP13 P45452 3/20 0.33
ALDH1A1 P00352 3/20 0.33
PKM P14618 3/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR7 P34969 3/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
TPSAB1 Q15661 1/20 0.31
MAPK1 P28482 2/20 0.31
COL2A1 P02458 1/20 0.31
MMP2 P08253 1/20 0.31
MMP8 P22894 1/20 0.31
MMP12 P39900 1/20 0.31
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL2511384 0.86 TLR7 (0.32)
SCHEMBL11917655 0.86 TLR7 (0.32)
SCHEMBL9979236 0.85 TLR7 (0.41) BCHEACHEALDH1A1PKMKDM4E
SCHEMBL9979239 0.84
SCHEMBL9979421 0.83 ALDH1A1 (0.33) ALDH1A1LMNAKMT2A
SCHEMBL9979339 0.82 BTK (0.35) BCHEACHEALDH1A1KDM4ELMNA
SCHEMBL9979134 0.79 ACHE (0.31) ACHE
SCHEMBL9980606 0.78 LMNA (0.31) ACHELMNAKMT2A
SCHEMBL9979335 0.77
SCHEMBL9979076 0.77 ACHE (0.30) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350034-B2 Substituted chiral fused [1,2]imidazo[4,5-C] ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-01-08 US claimed
US-20110293654-A1 SUBSTITUTED CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMANY 2011-12-01 US claimed

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-20110293654-A1 SUBSTITUTED CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS IFNG, IL4, IFNAR1 BCHE 1098/4885ACHE 2159/4885MMP13 4647/4885

“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.