SCHEMBL5140230

SCHEMBL5140230

COC(=O)c1cncn1C(C)c1ccc([Sn](C)(C)C)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.70
GABRA1 P14867 7/20 0.54
GABRB2 P47870 6/20 0.54
CYP11B1 P15538 3/20 0.54
CYP11B2 P19099 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
LMNA P02545 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ABCB11 O95342 1/20 0.54
GABRA2 P47869 1/20 0.54
ALDH1A1 P00352 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
GPBAR1 Q8TDU6 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL5140228 1.00 MAPK1 (0.70) MAPK1GABRA1GABRB2CYP11B1CYP11B2
SCHEMBL4867149 0.85 ALDH1A1 (0.72) MAPK1GABRA1GABRB2CYP11B1CYP11B2
SCHEMBL22004285 0.85 MAPK1 (0.76) MAPK1GABRA1GABRB2CYP11B1CYP11B2
Iodometomidate I-123, R- SCHEMBL4870043 0.84 MAPK1 (0.74) MAPK1GABRA1GABRB2CYP11B1CYP11B2
Iodometomidate I-123, R- SCHEMBL4870040 0.84 MAPK1 (0.74) MAPK1GABRA1GABRB2CYP11B1CYP11B2
SCHEMBL21952124 0.84 GABRA1 (0.52) MAPK1GABRA1GABRB2CYP11B1CYP11B2
Metomidate SCHEMBL4377172 0.84 MAPK1 (0.97) MAPK1GABRA1GABRB2CYP11B1CYP11B2
Metomidate SCHEMBL491910 0.84 MAPK1 (0.97) MAPK1GABRA1GABRB2CYP11B1CYP11B2
Metomidate SCHEMBL1845324 0.83 MAPK1 (1.00) MAPK1GABRA1GABRB2CYP11B1CYP11B2
SCHEMBL16950287 0.80 ALDH1A1 (0.47) MAPK1GABRA1GABRB2CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207916-A1 Radiolabelled Phenylethyl Imidazole Carboxylic Acid Ester Derivatives Zolle, Ilse (AT) 2008-08-28 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-20080207916-A1 Radiolabelled Phenylethyl Imidazole Carboxylic Acid Ester Derivatives PAICS, PIGO, GRPR MAPK1 3539/4885GABRA1 166/4885GABRB2 791/4885

“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.