SCHEMBL5658464

SCHEMBL5658464

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

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.61
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
MTNR1A P48039 2/20 0.55
MMP9 P14780 1/20 0.54
AANAT Q16613 1/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
GSK3B P49841 2/20 0.51
SIRT1 Q96EB6 3/20 0.50
HSD17B2 P37059 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
BLM P54132 1/20 0.50
CDK4 P11802 1/20 0.50
CCND1 P24385 1/20 0.50

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
SCHEMBL5657624 0.94 MEN1 (0.65) GFERMEN1KMT2AMTNR1AMMP9
SCHEMBL9117842 0.82 MEN1 (0.76) GFERMEN1KMT2AMTNR1AMMP9
SCHEMBL23054820 0.81 NPC1 (0.70) GFERMEN1KMT2AMMP9NPC1
SCHEMBL12009643 0.81 GFER (0.91) GFERMEN1KMT2AMTNR1AAANAT
SCHEMBL5662044 0.81 MEN1 (0.56) GFERMEN1KMT2AMTNR1AAANAT
SCHEMBL7677886 0.79 MEN1 (0.84) GFERMEN1KMT2AMTNR1AMMP9
Hydrochloric Acid SCHEMBL6365223 0.78 KMT2A (0.54) GFERMEN1KMT2AMTNR1AAANAT
SCHEMBL7852879 0.77 GFER (0.84) GFERMEN1KMT2AMTNR1AAANAT
SCHEMBL5659324 0.77 KMT2A (0.63) MEN1KMT2AMTNR1AMMP9AANAT
SCHEMBL12009647 0.77 GFER (1.00) GFERMEN1KMT2AMTNR1AAANAT

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 GFER 2298/4885MEN1 625/4885KMT2A 3724/4885

“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.