SCHEMBL5361633

SCHEMBL5361633

O=C1c2ccccc2C(=O)N1CC1COc2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 1/20 0.44
TSHR P16473 2/20 0.40
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 2/20 0.38
POLB P06746 1/20 0.37
MIF P14174 1/20 0.36
CA2 P00918 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
CYP19A1 P11511 2/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5361629 1.00 AQP1 (0.44) AQP1TSHRCYP1A2CYP2C19CYP2C9
SCHEMBL4234302 0.83 AQP1 (0.62) AQP1TSHRCYP1A2CYP2C19CYP2C9
SCHEMBL4596336 0.83 AQP1 (0.62) AQP1TSHRCYP1A2CYP2C19CYP2C9
SCHEMBL3344458 0.82 AQP1 (0.44) AQP1TSHRCYP1A2CYP2C19CYP2C9
SCHEMBL5361397 0.80 AQP1 (0.51) AQP1CA2LMNA
SCHEMBL5361392 0.80 AQP1 (0.51) AQP1CA2LMNA
SCHEMBL8225828 0.80 AQP1 (0.51) AQP1CA2LMNA
SCHEMBL4958361 0.80 AQP1 (0.51) AQP1CA2HTTLMNA
SCHEMBL5521689 0.80 AQP1 (0.51) AQP1CA2HTTLMNA
SCHEMBL14364400 0.80 AQP1 (0.54) AQP1CA2HTTLMNA

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
WO-2007123942-A2 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF WYETH (US) 2007-11-01 WO disclosed
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2007-11-01 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-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof TBXA2R, HTR2C, NPY1R AQP1 2199/4885TSHR 296/4885CYP1A2 103/4885

“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.