SCHEMBL5431385

SCHEMBL5431385

O=C(CC(NC(=O)c1ccc(N2CCCCC2=O)cc1)C(=O)N1CCS(O)(O)CC1)Nc1ccc(Cl)cn1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.55
MAPT P10636 1/20 0.44
TACR3 P29371 1/20 0.44
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
F2 P00734 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL5431380 0.94 F10 (0.55) F10MAPTTACR3CYP1A2CYP2D6
SCHEMBL5438477 0.94 F10 (0.60) F10MAPTTACR3CYP1A2CYP2D6
SCHEMBL5428351 0.93 F10 (0.59) F10MAPTTACR3MEN1NPC1
SCHEMBL5428271 0.91 F10 (0.56) F10MAPTTACR3
SCHEMBL5440638 0.90 F10 (0.56) F10MAPTTACR3ALDH1A1
SCHEMBL5439338 0.88 MAPT (0.49) F10MAPTRAB9ACYP1A2CYP2D6
SCHEMBL5433922 0.88 F10 (0.51) F10MAPTTACR3RAB9AALDH1A1
SCHEMBL5445224 0.85 F10 (0.57) F10MAPTTACR3CYP1A2CYP2D6
SCHEMBL5439064 0.83 F10 (0.62) F10MAPTTACR3RAB9ACYP1A2
SCHEMBL5435194 0.83 F10 (0.53) F10

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 4212/4885TACR3 2543/4885

“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.