SCHEMBL5644100

SCHEMBL5644100

CN(C)c1ccc(N2C(=O)N3CC[CH][C@@H]3C2C(N)=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
KDM4E B2RXH2 4/20 0.36
PARP1 P09874 4/20 0.35
GFER P55789 1/20 0.34
GAA P10253 2/20 0.33
MAPT P10636 6/20 0.32
HPGD P15428 2/20 0.32
MCL1 Q07820 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KAT2B Q92831 1/20 0.31
CSNK2A1 P68400 1/20 0.30

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
SCHEMBL5639633 0.86 P2RX3 (0.34) ALDH1A1GAAMAPTHPGDSMN1; SMN2
SCHEMBL5642622 0.86 F10 (0.30)
SCHEMBL5641830 0.84 F10 (0.34)
SCHEMBL5640498 0.83 LMNA (0.36) MAPK1
SCHEMBL5641581 0.82 LMNA (0.35) PARP1HPGDSMN1; SMN2
SCHEMBL5643367 0.82 OPRM1 (0.36)
SCHEMBL5643420 0.81 F10 (0.38)
SCHEMBL5639967 0.81 PARP1 (0.44) ALDH1A1KDM4EPARP1GAAMAPT
SCHEMBL5640135 0.80 F10 (0.39)
SCHEMBL5638380 0.80 POLB (0.31)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 US disclosed
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMANY 2005-05-19 US 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-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors F2, F12, SPINT2 ALDH1A1 2842/4885KDM4E 2227/4885PARP1 1514/4885

“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.