SCHEMBL5043401

SCHEMBL5043401

Cn1nnc(-c2ccc(I)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
LMNA P02545 2/20 0.41
HRH4 Q9H3N8 1/20 0.40
LTA4H P09960 1/20 0.39
PPARA Q07869 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL13841588 0.82 NPC1 (0.54) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL5775 0.82 LTA4H (0.51) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL5774 0.80 SMN1; SMN2 (0.46) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL1674237 0.80 SMN1; SMN2 (0.62) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL851750 0.80 NPC1 (0.52) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL2644715 0.80 SMN1; SMN2 (0.46) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL2611134 0.80 KMT2A (0.54) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL2611131 0.80 LMNA (0.49) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL8137879 0.80 SMN1; SMN2 (0.46) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL344042 0.79 RAB9A (0.53) SMN1; SMN2NPC1NFKB1RAB9ANFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013066869-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA INC. (US) 2013-05-10 WO disclosed
CN-100439357-C Benzo [b][1,4] dioxepine derivatives HOFFMANN LA ROCHE (CH) 2008-12-03 CN disclosed
US-7459480-B2 Benzodioxepine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-12-02 US disclosed
EP-1682528-B1 BENZO [b][1,4] DIOXEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-09-12 EP disclosed
CN-1875015-A Benzo [b][1,4] dioxepine derivatives HOFFMANN LA ROCHE (CH) 2006-12-06 CN disclosed
EP-1682528-A1 BENZO [b][1,4] DIOXEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
US-20050113374-A1 Benzodioxepine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-05-26 US disclosed
WO-2005044814-A1 BENZO [b][1,4] DIOXEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-05-19 WO 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-20050113374-A1 Benzodioxepine derivatives BBOX1, ACOX1, ACOX3 SMN1; SMN2 3955/4885NPC1 2203/4885NFKB1 131/4885

“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.