SCHEMBL5440326

SCHEMBL5440326

CN(C)CC(CNC(=O)c1ccc(N2CCCCC2=O)cc1)NC(=O)c1ccc(Cl)s1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.57
F2 P00734 1/20 0.57
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.48
MAPT P10636 1/20 0.48
LMNA P02545 2/20 0.47
PRMT5 O14744 1/20 0.45
CYP1A2 P05177 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
SCHEMBL5440465 0.97 F10 (0.57) F10F2ALDH1A1HPGDRAB9A
SCHEMBL5437024 0.93 F10 (0.55) F10F2ALDH1A1HPGDRAB9A
SCHEMBL5439152 0.92 F10 (0.54) F10F2ALDH1A1HPGDRAB9A
SCHEMBL5433301 0.90 F10 (0.59) F10F2ALDH1A1HPGDRAB9A
SCHEMBL5438397 0.89 F10 (0.61) F10F2ALDH1A1HPGDRAB9A
SCHEMBL5434359 0.89 F10 (0.61) F10F2ALDH1A1HPGDRAB9A
SCHEMBL5431456 0.89 F10 (0.53) F10F2ALDH1A1HPGDRAB9A
SCHEMBL5430468 0.88 F10 (0.51) F10F2ALDH1A1HPGDRAB9A
SCHEMBL5435290 0.88 F10 (0.52) F10F2ALDH1A1HPGDRAB9A
SCHEMBL5443288 0.88 F10 (0.57) F10F2ALDH1A1HPGDRAB9A

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 6/4885ALDH1A1 1204/4885

“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.