SCHEMBL5440591

SCHEMBL5440591

CC(C)C(NC(=O)c1ccc(N2CCCCC2=O)cc1)C(=O)NS(=O)(=O)c1cc2ccc(Cl)cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
F10 P00742 14/20 0.42
F2 P00734 1/20 0.40
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX15 P16050 1/20 0.38
LMNA P02545 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
SCHEMBL5433231 0.87 MAPT (0.47) MAPTF10F2RAB9AALDH1A1
SCHEMBL5427885 0.86 CYP1A2 (0.47) MAPTCYP1A2CYP2D6CYP2C9F10
SCHEMBL5438701 0.85 F10 (0.47) MAPTCYP1A2CYP2D6CYP2C9F10
SCHEMBL5427267 0.82 MAPT (0.51) MAPTF10F2RAB9ANPC1
SCHEMBL5439007 0.82 MAPT (0.50) MAPTCYP1A2F10RAB9ANPC1
SCHEMBL5429249 0.81 RAB9A (0.45) MAPTCYP1A2CYP2D6CYP2C9F10
SCHEMBL5429198 0.81 MAPT (0.47) MAPTF10F2RAB9ANPC1
SCHEMBL5446487 0.78 F10 (0.45) MAPTCYP1A2CYP2D6CYP2C9F10
SCHEMBL5431735 0.77 F10 (0.48) MAPTCYP1A2CYP2D6CYP2C9F10
SCHEMBL5437923 0.76 CYP1A2 (0.43) MAPTCYP1A2CYP2D6CYP2C9F10

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 4212/4885CYP1A2 2248/4885CYP2D6 1822/4885

“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.