SCHEMBL13745276

SCHEMBL13745276

O=S(=O)(c1ccccc1)N1CCc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.58
MAPT P10636 2/20 0.55
DRD3 P35462 7/20 0.55
HTR6 P50406 5/20 0.55
MMP1 P03956 1/20 0.54
MMP2 P08253 1/20 0.54
MMP7 P09237 1/20 0.54
MMP9 P14780 1/20 0.54
MMP12 P39900 1/20 0.54
MMP14 P50281 1/20 0.54
MMP15 P51511 1/20 0.54
MMP16 P51512 1/20 0.54
MMP26 Q9NRE1 1/20 0.54
DRD2 P14416 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
RORC P51449 1/20 0.53
NR1H3 Q13133 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SRD5A1 P18405 1/20 0.52

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
SCHEMBL20411254 0.84 MEN1 (0.65) HRH3MAPTMEN1KMT2ASRD5A1
SCHEMBL19024024 0.81 CYP11B1 (0.58) HRH3RORCNR1H3MEN1KMT2A
SCHEMBL6109901 0.79 HRH3 (0.90) HRH3DRD3HTR6DRD2
SCHEMBL22432716 0.79 HRH3 (0.60) HRH3SRD5A1
SCHEMBL394561 0.78 DRD3 (0.63) HRH3MAPTDRD3HTR6DRD2
SCHEMBL2513172 0.78 NR1H3 (0.59) HRH3MAPTDRD3HTR6DRD2
SCHEMBL28499625 0.78 HRH3 (0.70) HRH3SRD5A1
SCHEMBL2448011 0.77 DRD3 (0.57) HRH3MAPTDRD3HTR6DRD2
SCHEMBL10186983 0.76 MEN1 (0.69) HRH3MAPTDRD3HTR6DRD2
SCHEMBL2074679 0.76 DRD3 (0.62) HRH3MAPTDRD3HTR6DRD2

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-7572820-B2 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2009-08-11 US disclosed
US-20080139631-A1 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 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-20080139631-A1 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators AR, NR5A1, NR3C2 HRH3 1980/4885MAPT 3790/4885DRD3 2325/4885

“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.