SCHEMBL2995950

SCHEMBL2995950

CNCCCNC(=O)c1ccc(N)cn1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.49
HIF1A Q16665 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL2996781 0.85 MAOB (0.59) MAOBHIF1ASMN1; SMN2
SCHEMBL2993766 0.84 ALOX15 (0.56) MAOBHIF1AALOX15ALDH1A1KDM4E
SCHEMBL3000781 0.82 MAOB (0.51) MAOBHIF1AKMT2A
SCHEMBL17055348 0.80 MAOB (0.47) MAOBHIF1AKDM4E
SCHEMBL2992355 0.79 MAOB (0.49) MAOBHIF1ASMN1; SMN2ALOX15ALDH1A1
SCHEMBL2642966 0.77 PIP5K1C (0.49) MAOBHIF1AALDH1A1KDM4E
SCHEMBL1674346 0.77 ALDH1A1 (0.63) MAOBHIF1ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL25337209 0.76 CA12 (0.44) MAOBHIF1AALOX15
SCHEMBL29137453 0.76 KDM4E (0.48) MAOBHIF1ASMN1; SMN2KMT2AALDH1A1
SCHEMBL30372357 0.76 SMN1; SMN2 (0.77) SMN1; SMN2MEN1KMT2AALOX15ALDH1A1

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 2401/4885SMN1; SMN2 3033/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 MAOB 3222/4885HIF1A 2401/4885SMN1; SMN2 3033/4885

“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.