SCHEMBL5438701

SCHEMBL5438701

CC(C)C(NC(=O)c1ccc(N2CCCCC2=O)cc1)C(=O)NS(=O)(=O)c1ccc2cc(Cl)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.47
MAPT P10636 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
F2 P00734 1/20 0.43
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
PKM P14618 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5446487 0.92 F10 (0.45) F10MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL5431735 0.92 F10 (0.48) F10MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL5440591 0.85 MAPT (0.42) F10MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL5438973 0.85 CYP1A2 (0.49) F10MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL5445159 0.81 MAPT (0.54) F10MAPTF2ALDH1A1LMNA
SCHEMBL8340710 0.80 MAPT (0.52) F10MAPTCYP1A2F2ALDH1A1
SCHEMBL5437923 0.79 CYP1A2 (0.43) F10MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL5433970 0.77 MAPT (0.43) F10MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL5433193 0.77 MAPT (0.57) F10MAPTF2ALDH1A1LMNA
SCHEMBL4784109 0.76 MAPT (0.50) F10MAPTF2ALDH1A1LMNA

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 46/4885MAPT 4212/4885CYP1A2 2248/4885

“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.