SCHEMBL2265309

SCHEMBL2265309

O=C(c1cccs1)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 3/20 0.54
TP53 P04637 2/20 0.54
HSD17B10 Q99714 1/20 0.54
XBP1 P17861 1/20 0.54
ALOX15 P16050 1/20 0.54
AR P10275 6/20 0.51
KCNH2 Q12809 4/20 0.51
GAA P10253 4/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
THRB P10828 1/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KCNA5 P22460 1/20 0.48
ALOX12 P18054 1/20 0.46

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
SCHEMBL18126731 0.83 MAPT (0.69) MAPTHPGDHTTTDP1ALDH1A1
SCHEMBL18126721 0.80 HTT (0.66) MAPTHPGDHTTTDP1ALDH1A1
SCHEMBL18126703 0.77 HTT (0.62) MAPTHPGDHTTTDP1ALDH1A1
SCHEMBL2269028 0.77 AR (0.65) MAPTHPGDHTTTDP1ALDH1A1
SCHEMBL18126711 0.76 HTT (0.74) MAPTHPGDHTTTDP1ALDH1A1
SCHEMBL24095111 0.75 MAPT (0.55) MAPTHPGDHTTTDP1ALDH1A1
SCHEMBL2268416 0.75 HTT (0.59) MAPTHPGDHTTTDP1ALDH1A1
SCHEMBL18126714 0.75 DPP4 (0.64) MAPTHPGDHTTTDP1ALDH1A1
SCHEMBL19930440 0.74 DPP4 (0.63) MAPTHPGDHTTTDP1ALDH1A1
SCHEMBL23657770 0.74 MAPT (1.00) MAPTHPGDHTTTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
CN-101952286-A Bicyclic derivatives for use in the treatment of androgen receptor associated conditions ASTRAZENECA AB 2011-01-19 CN disclosed
EP-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 EP disclosed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 WO 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-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 AR, NR5A1, CYP17A1 MAPT 2987/4885HPGD 438/4885HTT 3680/4885

“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.