SCHEMBL6502210

SCHEMBL6502210

O=CC(c1cccnc1)c1ccc2c(c1)CCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 12/20 0.46
CYP11B2 P19099 8/20 0.46
CYP19A1 P11511 7/20 0.39
CYP26A1 O43174 1/20 0.37
CFTR P13569 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GOPC Q9HD26 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35

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
Bromide SCHEMBL8069043 0.99 CYP11B1 (0.44) CYP11B1CYP11B2CYP19A1CYP26A1CFTR
SCHEMBL8076680 0.97 CYP11B1 (0.49) CYP11B1CYP11B2CYP19A1CYP26A1CFTR
SCHEMBL6954487 0.83 CYP11B1 (0.49) CYP11B1CYP11B2CYP19A1CYP26A1CFTR
Bromide SCHEMBL11274115 0.75 KCNA5 (0.41) CYP11B1CYP11B2CYP19A1CFTRSLC6A2
SCHEMBL6505968 0.75 CYP3A4 (0.49) CYP11B1CYP11B2CYP19A1CFTRSLC6A2
SCHEMBL360712 0.75 CFTR (0.57) CYP11B1CYP11B2CYP19A1CFTRSLC6A2
SCHEMBL6501170 0.74 CYP19A1 (0.46) CYP11B1CYP19A1CFTRSLC6A2SLC6A4
SCHEMBL3903975 0.74 CYP11B1 (0.44) CYP11B1CYP19A1CFTRSLC6A2SLC6A4
SCHEMBL6503338 0.73 CYP19A1 (0.62) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL6502611 0.73 POLB (0.51) CYP11B1CYP11B2CYP19A1CFTRSLC6A2

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-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
EP-0149884-A2 5-Pyridyl-1,3-thiazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-07-31 EP 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 CYP11B1 2166/4885CYP11B2 2363/4885CYP19A1 2827/4885

“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.