SCHEMBL5657624

SCHEMBL5657624

N=C(NO)c1ccc(CCCC(=O)NCC(=O)NCCc2c[nH]c3ccccc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
MTNR1A P48039 2/20 0.59
GFER P55789 1/20 0.57
MMP9 P14780 1/20 0.52
AANAT Q16613 1/20 0.52
TRPV1 Q8NER1 3/20 0.52
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
GSK3B P49841 1/20 0.49
MAPT P10636 1/20 0.49
UBE2N P61088 1/20 0.49
HSD17B2 P37059 1/20 0.48

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
SCHEMBL5658464 0.94 GFER (0.61) MEN1KMT2AMTNR1AGFERMMP9
SCHEMBL1233057 0.79 MEN1 (0.83) MEN1KMT2AMTNR1AGFERMMP9
SCHEMBL2808670 0.78 MEN1 (0.81) MEN1KMT2AMTNR1AGFERMMP9
SCHEMBL12672064 0.78 MEN1 (0.81) MEN1KMT2AMTNR1AGFERMMP9
Hydrochloric Acid SCHEMBL6365223 0.76 KMT2A (0.54) MEN1KMT2AMTNR1AGFERAANAT
SCHEMBL2440677 0.76 MEN1 (0.81) MEN1KMT2AMTNR1AGFERMMP9
SCHEMBL23054820 0.76 NPC1 (0.70) MEN1KMT2AGFERMMP9TRPV1
SCHEMBL9117842 0.76 MEN1 (0.76) MEN1KMT2AMTNR1AGFERMMP9
SCHEMBL5662044 0.76 MEN1 (0.56) MEN1KMT2AMTNR1AGFERAANAT
SCHEMBL7677886 0.75 MEN1 (0.84) MEN1KMT2AMTNR1AGFERMMP9

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
US-7256194-B2 Prevent thrombosis; anticholesterol agents; cardiovascular disorders; anticancer agents MORPHOCHEM (DE) 2007-08-14 US disclosed
EP-1370526-B1 DIAMIDES WHICH INHIBIT TRYPTASE AND FACTOR XA ACTIVITY MORPHOCHEM AG KOMB CHEMIE (DE) 2006-05-24 EP disclosed
US-20040082547-A1 Novel compounds that inhibit factor xa activity MORPHOCHEM (DE) 2004-04-29 US disclosed
EP-1370526-A1 DIAMIDES WHICH INHIBIT TRYPTASE AND FACTOR XA ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2003-12-17 EP disclosed
WO-2002068390-A1 DIAMIDES WHICH INHIBIT TRYPTASE AND FACTOR XA ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2002-09-06 WO 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-20040082547-A1 Novel compounds that inhibit factor xa activity F11, TFPI, SERPINC1 MEN1 625/4885KMT2A 3724/4885MTNR1A 2748/4885

“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.