SCHEMBL917615

SCHEMBL917615

CNc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3ccccc3F)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
ALDH3A1 P30838 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
NOD2 Q9HC29 1/20 0.38
CACNB4 O00305 1/20 0.37
CACNA1A O00555 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNG3 O60359 1/20 0.37
CACNA1F O60840 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNB3 P54284 1/20 0.37
CACNA2D1 P54289 1/20 0.37
CACNG7 P62955 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
SCHEMBL916625 0.86 SLC6A2 (0.39) SLC6A4SLC6A2SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL915774 0.86 KMT2A (0.42) SLC6A4SLC6A2SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL915354 0.86 SLC6A2 (0.41) SLC6A4SLC6A2SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL916541 0.85 MAPK1 (0.42) SLC6A4SLC6A2SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL917614 0.83 SMN1; SMN2 (0.39) SLC6A4ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL916561 0.83 SLC6A2 (0.39) SLC6A4SLC6A2SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL915440 0.83 MAPT (0.39) SLC6A4SLC6A2SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL916198 0.82 SLC6A2 (0.39) SLC6A4SLC6A2SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL915683 0.82 ALDH1A1 (0.41) SLC6A4SLC6A2SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL916219 0.82 ALDH1A1 (0.47) SLC6A4SLC6A2SLC6A3ALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009428-A1 NOVEL ANDROGENS N.V. ORGANON (NL) 2011-01-13 US disclosed
EP-1742912-B1 NOVEL ANDROGENS ORGANON NV (NL) 2010-08-25 EP 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-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 SLC6A4 582/4885SLC6A2 1378/4885SLC6A3 734/4885

“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.