SCHEMBL5429149

SCHEMBL5429149

O=C(NCC(C(=O)NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc(N2CCCCC2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
RAB9A P51151 3/20 0.51
PRMT5 O14744 1/20 0.49
ALDH1A1 P00352 5/20 0.48
LMNA P02545 4/20 0.48
HTT P42858 1/20 0.48
HPGD P15428 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
F10 P00742 1/20 0.45
TSHR P16473 2/20 0.45
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RECQL P46063 1/20 0.42
FLT1 P17948 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
SCHEMBL5439102 0.88 F10 (0.49) MAPTRAB9APRMT5ALDH1A1LMNA
SCHEMBL5433193 0.86 MAPT (0.57) MAPTRAB9APRMT5ALDH1A1LMNA
SCHEMBL5436845 0.86 MAPT (0.57) MAPTRAB9APRMT5ALDH1A1LMNA
SCHEMBL5436861 0.85 CYP1A2 (0.54) MAPTRAB9AALDH1A1LMNAHTT
SCHEMBL5429249 0.85 RAB9A (0.45) MAPTRAB9APRMT5ALDH1A1LMNA
SCHEMBL5438497 0.79 MAPT (0.60) MAPTRAB9AALDH1A1LMNAHTT
SCHEMBL5438973 0.78 CYP1A2 (0.49) MAPTRAB9AALDH1A1LMNAHTT
SCHEMBL5431542 0.77 MAPT (0.57) MAPTRAB9AALDH1A1LMNAHTT
SCHEMBL5432950 0.74 MAPT (0.58) MAPTRAB9APRMT5ALDH1A1LMNA
SCHEMBL5438050 0.73 F10 (0.51) MAPTRAB9ACYP1A2CYP2D6CYP2C9

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 MAPT 4212/4885RAB9A 2047/4885PRMT5 1189/4885

“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.