SCHEMBL5439334

SCHEMBL5439334

O=C(CC(NC(=O)c1ccc(N2CCCCC2=O)cc1)C(=O)N1CCS(=O)(=O)CC1)Nc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
F10 P00742 12/20 0.47
F2 P00734 1/20 0.47
NAMPT P43490 1/20 0.42
CCKBR P32239 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
RAB9A P51151 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
SCHEMBL5439338 0.93 MAPT (0.49) MAPTF10F2NAMPTCCKBR
SCHEMBL5433247 0.93 MAPT (0.54) MAPTF10F2NAMPTKDM4E
SCHEMBL5439034 0.92 MAPT (0.53) MAPTF10F2NAMPTKDM4E
SCHEMBL5433534 0.91 F10 (0.50) MAPTF10F2NAMPTKDM4E
SCHEMBL5448264 0.89 MAPT (0.50) MAPTF10F2NAMPTRAB9A
SCHEMBL5431380 0.88 F10 (0.55) MAPTF10F2MEN1KMT2A
SCHEMBL5434264 0.83 MAPT (0.52) MAPTF10F2ATMCYP1A2
SCHEMBL5437798 0.82 F10 (0.50) F10CCKBR
SCHEMBL5428400 0.82 MAPT (0.56) MAPTF10F2ATMCYP1A2
SCHEMBL5431385 0.81 F10 (0.55) MAPTF10F2MEN1KMT2A

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 MAPT 4212/4885F10 46/4885F2 6/4885

“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.