SCHEMBL5433922

SCHEMBL5433922

O=C(CC(NC(=O)c1ccc(N2CCCCC2=O)cc1)C(=O)NCCN1CCS(O)(O)CC1)Nc1ccc(Cl)cn1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.51
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.42
RECQL P46063 1/20 0.41
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TACR3 P29371 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL5433090 0.93 F10 (0.52) F10ALDH1A1MAPTRECQLUSP2
SCHEMBL5429210 0.91 F10 (0.51) F10ALDH1A1MAPTRECQL
SCHEMBL5438504 0.89 ALDH1A1 (0.49) F10ALDH1A1MAPTRECQLUSP2
SCHEMBL5431385 0.88 F10 (0.55) F10ALDH1A1MAPTSMN1; SMN2TACR3
SCHEMBL5428981 0.85 F10 (0.49) F10
SCHEMBL5432974 0.84 F10 (0.50) F10ALDH1A1MAPTRECQLUSP2
SCHEMBL5442070 0.83 F10 (0.49) F10ALDH1A1MAPTRECQLTACR3
SCHEMBL5438477 0.83 F10 (0.60) F10MAPTTACR3
SCHEMBL5428271 0.82 F10 (0.56) F10MAPTTACR3
SCHEMBL5428351 0.82 F10 (0.59) F10ALDH1A1MAPTSMN1; SMN2TACR3

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 F10 46/4885ALDH1A1 1204/4885MAPT 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.