SCHEMBL3000781

SCHEMBL3000781

CC(=O)NCCNC(=O)c1ccc(N)cn1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.51
HIF1A Q16665 3/20 0.50
MALT1 Q9UDY8 1/20 0.42
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40

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
SCHEMBL17055348 0.82 MAOB (0.47) MAOBHIF1AEGLN1
SCHEMBL2992355 0.82 MAOB (0.49) MAOBHIF1AMALT1
SCHEMBL2995950 0.82 MAOB (0.49) MAOBHIF1AKMT2A
SCHEMBL2996781 0.81 MAOB (0.59) MAOBHIF1AMALT1
SCHEMBL2993766 0.81 ALOX15 (0.56) MAOBHIF1AMALT1NPC1RAB9A
SCHEMBL1674346 0.80 ALDH1A1 (0.63) MAOBHIF1ARAB9A
SCHEMBL21788549 0.79 MAOB (0.46) MAOBHIF1AMALT1KMT2ANPC1
SCHEMBL25337209 0.78 CA12 (0.44) MAOBHIF1AEGLN1
SCHEMBL29137453 0.78 KDM4E (0.48) MAOBHIF1AKMT2ANPC1RAB9A
SCHEMBL7238262 0.78 HCAR3 (0.44)

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-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US claimed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 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 (2 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-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 MAOB 3222/4885HIF1A 2401/4885MALT1 3225/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 MAOB 3222/4885HIF1A 2401/4885MALT1 3225/4885

“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.