SCHEMBL5433735

SCHEMBL5433735

O=C(NCC(COCCN1CCOCC1)NC(=O)c1ccc(Cl)s1)c1ccc(N2CCCCC2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.50
F2 P00734 2/20 0.50
MAPT P10636 2/20 0.45
RECQL P46063 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.43
ABCB11 O95342 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL5428308 0.97 F10 (0.50) F10F2MAPTRECQLALDH1A1
SCHEMBL5427763 0.92 F10 (0.51) F10F2MAPTRECQLALDH1A1
SCHEMBL5445197 0.91 F10 (0.49) F10F2MAPTRECQLALDH1A1
SCHEMBL5445194 0.91 F10 (0.49) F10F2MAPTRECQLALDH1A1
SCHEMBL5438923 0.88 F10 (0.49) F10F2MAPTRECQLALDH1A1
SCHEMBL5438919 0.88 F10 (0.49) F10F2MAPTRECQLALDH1A1
SCHEMBL5431755 0.86 F10 (0.53) F10F2MAPTRECQLALDH1A1
SCHEMBL5443288 0.86 F10 (0.57) F10F2MAPTALDH1A1HPGD
SCHEMBL5435290 0.86 F10 (0.52) F10F2MAPTALDH1A1HPGD
SCHEMBL5428392 0.85 F10 (0.49) F10F2MAPTRECQLALDH1A1

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 46/4885F2 6/4885MAPT 4212/4885

“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.