SCHEMBL8306574

SCHEMBL8306574

Cc1ccc(-n2cc[nH]c2=O)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
METAP2 P50579 1/20 0.40
CRHR1 P34998 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 2/20 0.36
AGTR1 P30556 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GRM4 Q14833 1/20 0.33
POLB P06746 1/20 0.33
TLR8 Q9NR97 1/20 0.33

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
SCHEMBL12900953 0.87 ALDH1A1 (0.46) ALDH1A1CRHR1TDP1HPGDGAA
SCHEMBL24720856 0.84 ALDH1A1 (0.38) ALDH1A1CRHR1TDP1GAAL3MBTL1
SCHEMBL8307483 0.83 ALDH1A1 (0.66) ALDH1A1CRHR1TDP1HPGDGAA
SCHEMBL27469414 0.81 ALDH1A1 (0.46) ALDH1A1CRHR1TDP1HPGDL3MBTL1
SCHEMBL8311544 0.81 ALDH1A1 (0.46) ALDH1A1CRHR1HPGDL3MBTL1NPSR1
SCHEMBL31057944 0.80 CRHR1 (0.41) ALDH1A1CRHR1TDP1GAAPOLB
SCHEMBL27471787 0.77 ALDH1A1 (0.46) ALDH1A1CRHR1TDP1HPGDL3MBTL1
SCHEMBL14502271 0.77 ALDH1A1 (0.43) ALDH1A1CRHR1HPGDL3MBTL1NPSR1
SCHEMBL8306979 0.72 METAP2 (0.48) ALDH1A1METAP2TDP1HPGDAGTR1
SCHEMBL3858469 0.72 CMA1 (0.43) ALDH1A1TDP1HPGDL3MBTL1POLB

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
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
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 ALDH1A1 3204/4885METAP2 128/4885CRHR1 3992/4885

“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.