SCHEMBL5434232

SCHEMBL5434232

O=C(O)C[C@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCCC2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 12/20 0.60
▸ LMNA P02545 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPT P10636 2/20 0.47
▸ F2 P00734 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CNR1 P21554 2/20 0.43
▸ FPR1 P21462 1/20 0.43
▸ FPR2 P25090 1/20 0.43

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
SCHEMBL5428324 0.92 F10 (0.59) F10LMNAHPGDTSHRMAPT
SCHEMBL5434229 0.91 F10 (0.59) F10LMNAHPGDTSHRMAPT
SCHEMBL5434224 0.90 MAPT (0.55) F10MAPTF2
SCHEMBL5429178 0.90 F10 (0.74) F10LMNAHPGDTSHRMAPT
SCHEMBL6374712 0.87 F10 (0.58) F10LMNAHPGDTSHRMAPT
SCHEMBL6376598 0.87 F10 (0.58) F10LMNAHPGDTSHRMAPT
SCHEMBL6374720 0.87 F10 (0.58) F10LMNAHPGDTSHRMAPT
SCHEMBL5433569 0.87 F10 (0.73) F10LMNAHPGDTSHRMAPT
SCHEMBL5433564 0.87 F10 (0.73) F10LMNAHPGDTSHRMAPT
SCHEMBL5433595 0.86 F10 (0.56) F10LMNAHPGDTSHRMAPT

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 46/4885LMNA 1088/4885HPGD 2687/4885

“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.

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