SCHEMBL6189909

SCHEMBL6189909

N#Cc1ccc(NCC(=O)NC2CCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.50
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 2/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 5/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
HCAR3 P49019 2/20 0.45
EPHX1 P07099 1/20 0.44
GAA P10253 1/20 0.42

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
SCHEMBL6187218 0.82 TSHR (0.51) ALDH1A1KDM4ETSHRHSD17B10USP2
SCHEMBL4122997 0.80 MEN1 (0.65) KAT2BALDH1A1POLBHPGDKMT2A
SCHEMBL7182042 0.80 MEN1 (0.65) KAT2BALDH1A1POLBHPGDKMT2A
SCHEMBL4464340 0.79 KAT2B (0.56) KAT2BALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL7187372 0.79 MEN1 (0.67) KAT2BALDH1A1POLBHPGDKMT2A
SCHEMBL24993978 0.78 KAT2B (0.63) KAT2BALDH1A1KMT2ARAB9AMAPT
SCHEMBL20333669 0.76 KMT2A (0.63) KAT2BALDH1A1HPGDKMT2AL3MBTL1
SCHEMBL5881547 0.75 KAT2B (0.60) KAT2BALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL17739749 0.75 HCAR3 (0.60) KAT2BALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL17739750 0.75 HCAR3 (0.60) KAT2BALDH1A1KMT2AL3MBTL1MEN1

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 4 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
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 KAT2B 2025/4885ALDH1A1 1115/4885KDM4E 2441/4885

“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.