SCHEMBL8303637

SCHEMBL8303637

Cc1ccc(-n2ccoc2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.43
F2 P00734 1/20 0.43
CTSG P08311 1/20 0.43
CMA1 P23946 1/20 0.43
CTRC Q99895 1/20 0.43
MGLL Q99685 1/20 0.41
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
COMT P21964 1/20 0.39
RGS4 P49798 1/20 0.38
RGS8 P57771 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HCAR1 Q9BXC0 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL28477611 0.79 ALDH1A1 (0.46) ELANEMGLLMEN1KMT2ASMN1; SMN2
SCHEMBL14490573 0.77 ELANE (0.43) ELANEPTGS1PTGS2
SCHEMBL8303359 0.77 MAPT (0.46) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL8306976 0.74 NPSR1 (0.46) COMTMEN1KMT2ASMN1; SMN2HCAR1
SCHEMBL8306571 0.72 MAP3K5 (0.39) F2KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL28449189 0.72 POLB (0.42) MEN1NPC1RAB9AKMT2ACYP1A2
SCHEMBL2433061 0.71 GSK3B (0.49) ALDH1A1POLBGSK3B
SCHEMBL29642574 0.71 HCAR1 (0.42) ELANEF2CTSGCMA1CTRC
SCHEMBL28481968 0.71 ALDH1A1 (0.49) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL28469857 0.69 MGLL (0.44) ELANEMGLLMEN1KMT2ASMN1; SMN2

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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD ELANE 138/4885F2 2/4885CTSG 809/4885

“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.