SCHEMBL4745405

SCHEMBL4745405

O=S(=O)(c1ccc(Oc2cccc3cccnc23)c2nonc12)N1CCN(c2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
GAA P10253 4/20 0.67
HTT P42858 3/20 0.60
POLB P06746 1/20 0.60
ALOX15 P16050 1/20 0.55
MAPT P10636 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 4/20 0.49
RECQL P46063 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
FABP1 P07148 2/20 0.46
CNR1 P21554 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL6392185 0.84 ALDH1A1 (0.50) ALDH1A1GAAHTTPOLBALOX15
SCHEMBL5242720 0.83 ALDH1A1 (0.67) ALDH1A1GAAHTTPOLBALOX15
SCHEMBL2961832 0.81 ALDH1A1 (1.00) ALDH1A1GAAHTTPOLBALOX15
SCHEMBL4807717 0.78 MAPT (0.48) ALDH1A1GAAHTTPOLBALOX15
SCHEMBL5243664 0.76 ALDH1A1 (0.61) ALDH1A1GAAHTTPOLBMAPT
SCHEMBL5244389 0.76 MEN1 (0.56) ALDH1A1GAAHTTPOLBMAPT
SCHEMBL4787536 0.75 ALDH1A1 (0.55) ALDH1A1GAAHTTPOLBALOX15
SCHEMBL2962551 0.73 KMT2A (0.80) ALDH1A1GAAPOLBMAPTL3MBTL1
SCHEMBL8151855 0.73 ALDH1A1 (0.55) ALDH1A1GAAHTTPOLBALOX15
SCHEMBL5287451 0.73 ALDH1A1 (0.52) ALDH1A1GAAHTTPOLBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008115259-A2 DERIVATIVES OF BENZOXADIAZOLE SUITABLE FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2008-09-25 WO claimed
US-20050282818-A1 Ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2005-12-22 US claimed
US-20050282818-A1 Ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2005-12-22 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-20050282818-A1 Ubiquitin ligase inhibitors NEDD4, TRAF6, XIAP ALDH1A1 2627/4885GAA 488/4885HTT 722/4885

“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.