SCHEMBL3751093

SCHEMBL3751093

CC(C)(C)c1ccc(OCCSc2nc(=O)cc(N)[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
TP53 P04637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
LMNA P02545 4/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 3/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 2/20 0.47
TSHR P16473 5/20 0.46
SCN5A Q14524 1/20 0.46
GRIN2C Q14957 1/20 0.46
SCN9A Q15858 1/20 0.46
HTT P42858 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
POLB P06746 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL3743378 0.70 MAPT (0.36) MAPTTP53NPC1RAB9ALMNA
SCHEMBL22640100 0.68 KDM4E (0.77) MAPTTP53NPC1RAB9ALMNA
SCHEMBL29125692 0.66 SMN1; SMN2 (0.43) MAPTTP53NPC1RAB9ALMNA
SCHEMBL5021587 0.65 L3MBTL1 (0.50) MAPTALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL842961 0.65 SCN9A (0.65) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL22248702 0.64 HRH3 (0.62) TP53NPC1RAB9ALMNAALDH1A1
SCHEMBL20234326 0.64 HRH3 (0.61) MAPTTP53NPC1RAB9ALMNA
SCHEMBL4902926 0.63 SMN1; SMN2 (0.66) MAPTTP53NPC1RAB9ALMNA
SCHEMBL22248703 0.62 HRH3 (0.65) TP53NPC1RAB9ALMNAALDH1A1
SCHEMBL10928013 0.62 SMN1; SMN2 (0.54) MAPTTP53NPC1RAB9ALMNA

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-7829575-B2 Methods for treating androgen receptor related disorders UNIVERSITY OF CINCINNATI (US) 2010-11-09 US disclosed
US-20080015207-A1 Methods for treating androgen receptor related disorders CINCINNATI, UNIVERSITY OF 2008-01-17 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-20080015207-A1 Methods for treating androgen receptor related disorders AR, SHBG, KLK3 MAPT 2776/4885TP53 488/4885NPC1 4679/4885

“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.