SCHEMBL6281649

SCHEMBL6281649

C[C@H](O)Cn1c(-c2ccco2)nc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.69
KDM4E B2RXH2 9/20 0.69
HPGD P15428 8/20 0.69
HSD17B10 Q99714 6/20 0.69
TP53 P04637 2/20 0.69
TSHR P16473 6/20 0.62
USP2 O75604 1/20 0.62
POLB P06746 3/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 5/20 0.53
NPSR1 Q6W5P4 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
LMNA P02545 6/20 0.52
HTT P42858 3/20 0.52
ADORA3 P0DMS8 1/20 0.48

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
SCHEMBL28773510 0.77 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL8338328 0.77 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL6177373 0.77 SMN1; SMN2 (0.69) ALDH1A1KDM4ETSHRPOLBMAPT
SCHEMBL28378126 0.77 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL7729105 0.76 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL18968587 0.76 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL15569551 0.76 CASR (0.73) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL28773632 0.75 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL28773526 0.75 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL4622963 0.74 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDHSD17B10TP53

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-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
US-20030096826-A1 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY 2003-05-22 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-20030096826-A1 Arylsulfonamide ethers, and methods of use thereof CASP1, IRAK1, STS ALDH1A1 1294/4885KDM4E 1557/4885HPGD 3637/4885

“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.