SCHEMBL5438997

SCHEMBL5438997

O=C(CC(COCCN1CCOCC1)NC(=O)c1ccc(-n2ccccc2=O)cc1)Nc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.45
EPHX2 P34913 6/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HTR1A P08908 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KCNH2 Q12809 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
ABCB1 P08183 1/20 0.40
MAPK1 P28482 1/20 0.40
CNR1 P21554 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL5431486 0.92 F10 (0.46) F10ALDH1A1CNR1SMN1; SMN2
SCHEMBL5436722 0.90 F10 (0.45) F10EPHX2
SCHEMBL5436726 0.90 F10 (0.45) F10
SCHEMBL5440446 0.89 F10 (0.49) F10
SCHEMBL5439391 0.88 F10 (0.50) F10EPHX2NPC1RAB9AALDH1A1
SCHEMBL5431410 0.85 F10 (0.51) F10
SCHEMBL5440542 0.85 F10 (0.44) F10EPHX2NPC1RAB9AALDH1A1
SCHEMBL5436920 0.84 F10 (0.45) F10EPHX2NPC1RAB9AALDH1A1
SCHEMBL5433785 0.83 F10 (0.54) F10
SCHEMBL5448226 0.83 F10 (0.49) F10

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-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-07 US claimed
US-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-07 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-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS PEPD, XPNPEP1, METAP1 F10 46/4885EPHX2 2924/4885NPC1 3393/4885

“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.