SCHEMBL6187218

SCHEMBL6187218

N#Cc1ccc(NCC(=O)NC2CCCCC2)c(N)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.51
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
HSD17B10 Q99714 2/20 0.51
USP2 O75604 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
EPHX1 P07099 1/20 0.47
EPHX2 P34913 3/20 0.41
BTK Q06187 1/20 0.40
LMNA P02545 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
ALOX15 P16050 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL6189909 0.82 KAT2B (0.50) TSHRKDM4EALDH1A1HSD17B10USP2
SCHEMBL6644188 0.76 KDM4E (0.54) TSHRKDM4EALDH1A1HSD17B10USP2
SCHEMBL7187273 0.76 KDM4E (0.54) TSHRKDM4EALDH1A1HSD17B10USP2
SCHEMBL24993926 0.76 ALDH1A1 (0.49) KDM4EALDH1A1HPGDGAA
SCHEMBL13542003 0.76 KDM4E (0.53) KDM4EALDH1A1HPGDPTGDR2GAA
SCHEMBL4464361 0.76 KDM4E (0.49) TSHRKDM4EALDH1A1HSD17B10USP2
SCHEMBL7182013 0.75 KDM4E (0.51) TSHRKDM4EALDH1A1HSD17B10USP2
SCHEMBL29673232 0.75 KDM4E (0.51) TSHRKDM4EALDH1A1HSD17B10USP2
SCHEMBL16155889 0.73 KDM4E (0.54) KDM4EALDH1A1HPGDPTGDR2GAA
SCHEMBL16444868 0.73 KDM4E (0.46) KDM4EALDH1A1NPC1RAB9AEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070714-A9 AMIDINE COMPOUNDS JAPAN TOBACCO INC. (JP) 2005-10-19 EP disclosed
EP-1070714-B1 AMIDINE COMPOUNDS JAPAN TOBACCO INC (JP) 2004-08-04 EP disclosed
US-20040006099-A1 Amidine compounds JAPAN TOBACCO INC. 2004-01-08 US disclosed
US-6562828-B1 Novel amidine compound having a blood coagulation factor Xa inhibitory activity JAPAN TOBACCO INC. (JP) 2003-05-13 US disclosed
EP-1070714-A1 AMIDINE COMPOUNDS JAPAN TOBACCO INC. (JP) 2001-01-24 EP 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-20040006099-A1 Amidine compounds F2, SERPINC1, F12 TSHR 389/4885KDM4E 2441/4885ALDH1A1 1115/4885

“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.