SCHEMBL710143

SCHEMBL710143

O=[N+]([O-])c1ccccc1Sc1cn(Cc2cccnc2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
CHRM1 P11229 2/20 0.46
APP P05067 3/20 0.45
SNCA P37840 3/20 0.45
SMN1; SMN2 Q16637 7/20 0.44
HTT P42858 5/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
CCR6 P51684 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR2C P28335 1/20 0.42
ALDH1A1 P00352 6/20 0.42
LMNA P02545 2/20 0.42

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
SCHEMBL707715 0.89 ALDH1A1 (0.43) SMN1; SMN2HTTKMT2AMAPTMEN1
SCHEMBL916466 0.89 SMN1; SMN2 (0.41) CNR1CNR2CHRM1APPSNCA
SCHEMBL708821 0.88 CNR1 (0.44) CNR1CNR2SMN1; SMN2HTTKMT2A
SCHEMBL10131506 0.86 HTT (0.38) CNR1CNR2CHRM1APPSNCA
SCHEMBL916327 0.86 HTT (0.38) CNR1CNR2CHRM1SMN1; SMN2HTT
SCHEMBL917044 0.86 HTT (0.38) CNR1CNR2CHRM1APPSNCA
SCHEMBL3254071 0.86 APP (0.40) CNR1CNR2CHRM1APPSNCA
SCHEMBL3253955 0.84 HTT (0.40) CNR1CNR2SMN1; SMN2HTTKMT2A
SCHEMBL3256530 0.84 PDE4A (0.46) CNR1CNR2HTTMAPTKDM4E
SCHEMBL916535 0.83 APP (0.37) CNR1CNR2APPSNCASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124647-B2 Non-steroidal androgens compounds N.V. ORGANON (NL) 2012-02-28 US disclosed
US-20110065768-A1 NON-STEROIDAL ANDROGENS COMPOUNDS MERCK SHARP & DOHME B.V. (NL) 2011-03-17 US disclosed
US-7795280-B2 Indoles useful in the treatment of androgen-receptor related diseases N.V. ORGANON (NL) 2010-09-14 US disclosed
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AKZO NOBEL N.V. (NL) 2006-06-15 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 (2 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-20110065768-A1 NON-STEROIDAL ANDROGENS COMPOUNDS AR, NR5A1, SHBG CNR1 246/4885CNR2 446/4885CHRM1 4349/4885
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AR, NR5A1, SHBG CNR1 97/4885CNR2 158/4885CHRM1 3418/4885

“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.