SCHEMBL5436727

SCHEMBL5436727

O=C(CC(Cc1ccccc1)NC(=O)c1ccc(N2CCCCC2=O)cc1)Nc1ccc(Cl)cn1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.61
MAPT P10636 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TACR3 P29371 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 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
SCHEMBL5440568 0.90 F10 (0.60) F10MAPTALDH1A1CYP1A2CYP2D6
SCHEMBL5485116 0.88 F10 (0.60) F10MAPTALDH1A1CYP1A2CYP2D6
SCHEMBL5436909 0.88 F10 (0.57) F10MAPTALDH1A1CYP1A2CYP2D6
SCHEMBL5434291 0.88 F10 (0.59) F10MAPTALDH1A1CYP1A2CYP2D6
SCHEMBL5439144 0.88 MAPT (0.53) F10MAPTALDH1A1CYP1A2CYP2D6
SCHEMBL5433072 0.87 F10 (0.58) F10MAPTALDH1A1CYP1A2CYP2D6
SCHEMBL5436666 0.87 F10 (0.63) F10MAPTALDH1A1CYP1A2CYP2D6
SCHEMBL5428719 0.86 F10 (0.57) F10MAPTALDH1A1CYP1A2CYP2D6
SCHEMBL5440396 0.86 F10 (0.58) F10MAPTALDH1A1CYP1A2CYP2D6
SCHEMBL5446721 0.86 F10 (0.57) F10MAPTCYP1A2CYP2D6CYP2C9

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 46/4885MAPT 4212/4885ALDH1A1 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.