SCHEMBL711766

SCHEMBL711766

O=[N+]([O-])c1ccccc1Sc1cn(Cc2ccccn2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 2/20 0.46
HTT P42858 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
SLC22A12 Q96S37 1/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
PDE7A Q13946 3/20 0.41
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CTSB P07858 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHRM1 P11229 1/20 0.38
MET P08581 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL712089 0.89 ALDH1A1 (0.42) ALDH1A1KDM4EHTTLMNASMN1; SMN2
SCHEMBL916215 0.89 ALDH1A1 (0.43) ALDH1A1KDM4EHTTLMNASMN1; SMN2
SCHEMBL3258210 0.87 LMNA (0.43) ALDH1A1KDM4ELMNASMN1; SMN2SLC22A12
SCHEMBL916895 0.86 ALDH1A1 (0.41) ALDH1A1KDM4EHTTLMNASMN1; SMN2
SCHEMBL710542 0.86 ALDH1A1 (0.44) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL915683 0.86 ALDH1A1 (0.41) ALDH1A1KDM4EHTTLMNASMN1; SMN2
SCHEMBL10131626 0.86 ALDH1A1 (0.41) ALDH1A1KDM4EHTTLMNASMN1; SMN2
SCHEMBL711274 0.86 ALDH1A1 (0.51) ALDH1A1KDM4EHTTLMNASLC22A12
SCHEMBL709751 0.86 MAPT (0.47) ALDH1A1KDM4EHTTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL710238 0.85 MAPT (0.46) ALDH1A1KDM4EHTTLMNASMN1; 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 ALDH1A1 1052/4885KDM4E 2226/4885HTT 2200/4885
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AR, NR5A1, SHBG ALDH1A1 773/4885KDM4E 2568/4885HTT 1125/4885

“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.