SCHEMBL5426602

SCHEMBL5426602

CS(=O)(=O)N1CC(N)C(NC(=O)c2ccc(N3CCCCC3=O)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
HPGD P15428 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TSHR P16473 2/20 0.51
RAB9A P51151 2/20 0.51
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51
F10 P00742 7/20 0.51
F2 P00734 1/20 0.51
LMNA P02545 4/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5431955 0.92 NPC1 (0.52) NPC1HPGDSMN1; SMN2TSHRRAB9A
SCHEMBL5445705 0.92 NPC1 (0.52) NPC1HPGDSMN1; SMN2TSHRRAB9A
SCHEMBL5443494 0.85 NPC1 (0.55) NPC1HPGDSMN1; SMN2TSHRRAB9A
SCHEMBL5442401 0.83 HPGD (0.53) NPC1HPGDSMN1; SMN2TSHRRAB9A
SCHEMBL4848557 0.82 F10 (0.75) F10F2
SCHEMBL4848553 0.82 F10 (0.75) F10F2
SCHEMBL5434254 0.80 HPGD (0.54) NPC1HPGDSMN1; SMN2TSHRRAB9A
SCHEMBL5630333 0.80 F10 (0.56) NPC1HPGDSMN1; SMN2TSHRRAB9A
SCHEMBL4745381 0.80 HPGD (0.54) NPC1HPGDSMN1; SMN2TSHRRAB9A
SCHEMBL4746829 0.79 F10 (0.66) NPC1HPGDSMN1; SMN2TSHRRAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US claimed
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 NPC1 4319/4885HPGD 1815/4885SMN1; SMN2 2952/4885

“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.