SCHEMBL5440482

SCHEMBL5440482

O=C(CC(NC(=O)c1ccc(N2CCCCC2=O)cc1)C(=O)NCCN1CCOCC1)Nc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.53
ALDH1A1 P00352 3/20 0.50
HTR1A P08908 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
KCNH2 Q12809 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
CNR1 P21554 1/20 0.48
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
F10 P00742 4/20 0.45
RECQL P46063 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44

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
SCHEMBL5445591 0.92 ALDH1A1 (0.51) EPHX2ALDH1A1SMN1; SMN2CNR1MAPT
SCHEMBL5438504 0.90 ALDH1A1 (0.49) EPHX2ALDH1A1SMN1; SMN2CNR1MAPT
SCHEMBL5429210 0.89 F10 (0.51) EPHX2ALDH1A1HTR1AMAOAMAOB
SCHEMBL5448264 0.86 MAPT (0.50) ALDH1A1MAPTNPC1RAB9AF10
SCHEMBL5440538 0.85 MAPT (0.49) ALDH1A1MAPTF10F2
SCHEMBL5439138 0.84 MAPT (0.49) EPHX2ALDH1A1MAPTNPC1RAB9A
SCHEMBL5442283 0.84 EPHX2 (0.54) EPHX2ALDH1A1HTR1AMAOAMAOB
SCHEMBL5436920 0.82 F10 (0.45) EPHX2ALDH1A1HTR1AMAOAMAOB
SCHEMBL5433247 0.82 MAPT (0.54) ALDH1A1MAPTF10F2
SCHEMBL5440261 0.81 F10 (0.44) EPHX2ALDH1A1HTR1AMAOAMAOB

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 1 patent. 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 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 EPHX2 2924/4885ALDH1A1 1204/4885HTR1A 2127/4885

“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.