SCHEMBL956706

SCHEMBL956706

[c]1nc(CC2CCCCC2)co1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.39
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HRH4 Q9H3N8 5/20 0.36
HTR3A P46098 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
HRH3 Q9Y5N1 4/20 0.34
NPC1 O15118 1/20 0.33
HTR6 P50406 4/20 0.33
CEL P19835 1/20 0.33
JAK2 O60674 1/20 0.32
ROCK2 O75116 1/20 0.32
GSK3B P49841 1/20 0.32
DAO P14920 1/20 0.31
DRD2 P14416 1/20 0.31
PNP P00491 1/20 0.30

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
SCHEMBL8564243 0.67 HRH4 (0.40) CYP11B2RAB9AALDH1A1HRH4HTR3A
SCHEMBL22606727 0.66 FFAR4 (0.41) CYP11B2RAB9AALDH1A1HRH4HTR3A
SCHEMBL15414991 0.66 HRH4 (0.36) CYP11B2RAB9AALDH1A1HRH4HTR3A
SCHEMBL22606936 0.63 HTR6 (0.38) CYP11B2HRH4HTR3AHTR6JAK2
SCHEMBL482011 0.62 CYP11B2 (0.41) CYP11B2HRH4HTR3AHRH3JAK2
SCHEMBL840173 0.62 KDM1A (0.40) CYP11B2RAB9AALDH1A1HRH4HTR3A
SCHEMBL15549396 0.62 LMNA (0.46) RAB9AALDH1A1TSHRNPC1
SCHEMBL18502898 0.61 CYP11B2 (0.54) CYP11B2HRH4HTR3AHRH3HTR6
SCHEMBL3097499 0.61 FAAH (0.54) RAB9AALDH1A1HRH3NPC1HTR6
SCHEMBL3468993 0.61 HRH3 (0.38) CYP11B2RAB9AHRH4TSHRRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868030-B2 FBPase inhibitors for diabetes HOFFMANN-LA ROCHE INC. (US) 2011-01-11 US claimed
CN-101454301-A Thiazole derivatives HOFFMANN LA ROCHE (CH) 2009-06-10 CN claimed
EP-2032548-A1 THIAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-11 EP claimed
WO-2007137962-A1 THIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-06 WO claimed
US-20070281979-A1 Fructose-1,6-bisphosphatase (FBPase) inhibitors, such as N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]3(difluoromethoxy)benzenesulfonamide, used as antidiabetic agents HOFFMANN-LA ROCHE INC. 2007-12-06 US claimed
US-7868030-B2 FBPase inhibitors for diabetes HOFFMANN-LA ROCHE INC. (US) 2011-01-11 US disclosed
CN-101454301-A Thiazole derivatives HOFFMANN LA ROCHE (CH) 2009-06-10 CN disclosed
EP-2032548-A1 THIAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-11 EP disclosed
WO-2007137962-A1 THIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-06 WO disclosed
US-20070281979-A1 Fructose-1,6-bisphosphatase (FBPase) inhibitors, such as N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]3(difluoromethoxy)benzenesulfonamide, used as antidiabetic agents HOFFMANN-LA ROCHE INC. 2007-12-06 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-20070281979-A1 Fructose-1,6-bisphosphatase (FBPase) inhibitors, such as N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]3(difluoromethoxy)benzenesulfonamide, used as antidiabetic agents FBP1, PFKFB1, PFKFB3 CYP11B2 2922/4885RAB9A 1955/4885ALDH1A1 565/4885

“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.