SCHEMBL5445705

SCHEMBL5445705

CS(=O)(=O)N1CCC(NC(=O)c2ccc(N3CCCCC3=O)cc2)C(N)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
HPGD P15428 3/20 0.52
TSHR P16473 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.52
MAPK1 P28482 1/20 0.52
F10 P00742 5/20 0.52
F2 P00734 1/20 0.52
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AKR1C3 P42330 3/20 0.42
GFER P55789 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
SCHEMBL5431955 0.92 NPC1 (0.52) NPC1RAB9AHPGDTSHRSMN1; SMN2
SCHEMBL5426602 0.92 NPC1 (0.51) NPC1RAB9AHPGDTSHRSMN1; SMN2
SCHEMBL4745381 0.84 HPGD (0.54) NPC1RAB9AHPGDTSHRSMN1; SMN2
SCHEMBL4746829 0.82 F10 (0.66) NPC1RAB9AHPGDTSHRSMN1; SMN2
SCHEMBL4747313 0.82 RAB9A (0.65) NPC1RAB9AHPGDTSHRSMN1; SMN2
SCHEMBL5443494 0.81 NPC1 (0.55) NPC1RAB9AHPGDTSHRSMN1; SMN2
SCHEMBL4744626 0.81 RAB9A (0.67) NPC1RAB9AHPGDTSHRSMN1; SMN2
SCHEMBL5435276 0.81 F10 (0.64) NPC1RAB9AHPGDTSHRSMN1; SMN2
SCHEMBL5442401 0.80 HPGD (0.53) NPC1RAB9AHPGDTSHRSMN1; SMN2
SCHEMBL5432420 0.79 F10 (0.60) 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 NPC1 4319/4885RAB9A 3566/4885HPGD 1815/4885

“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.