SCHEMBL5437998

SCHEMBL5437998

O=C(N[C@H]1C[C@H](CO)C[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(N2CCCCCC2=O)cc1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.76
F2 P00734 3/20 0.76
NPC1 O15118 2/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL5632158 1.00 F10 (0.76) F10F2NPC1HPGDSMN1; SMN2
SCHEMBL5631628 0.99 F10 (0.78) F10F2
SCHEMBL5435744 0.99 F10 (0.78) F10F2
SCHEMBL5426239 0.96 F10 (0.73) F10F2NPC1HPGDSMN1; SMN2
SCHEMBL5631200 0.96 F10 (0.73) F10F2NPC1HPGDSMN1; SMN2
SCHEMBL2002990 0.87 F10 (1.00) F10F2NPC1HPGDSMN1; SMN2
SCHEMBL1996160 0.87 F10 (0.96) F10F2NPC1HPGDSMN1; SMN2
SCHEMBL14490688 0.87 F10 (1.00) F10F2NPC1HPGDSMN1; SMN2
SCHEMBL14502194 0.87 F10 (1.00) F10F2NPC1HPGDSMN1; SMN2
SCHEMBL5632167 0.85 F10 (0.65) F10F2

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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD F10 53/4885F2 2/4885NPC1 4319/4885

“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.