SCHEMBL917614

SCHEMBL917614

NCc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3ccccc3F)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
PDE7A Q13946 2/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
SLC6A4 P31645 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NOD2 Q9HC29 1/20 0.36
CACNB4 O00305 1/20 0.36
CACNA1A O00555 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNG3 O60359 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNB3 P54284 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNG7 P62955 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1D Q01668 1/20 0.36

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
SCHEMBL915772 0.88 KMT2A (0.45) SMN1; SMN2PDE7AALDH1A1HTTLMNA
SCHEMBL916624 0.87 PDE7A (0.40) SMN1; SMN2PDE7AALDH1A1HTTLMNA
SCHEMBL915352 0.87 PDE7A (0.43) SMN1; SMN2PDE7AALDH1A1HTTLMNA
SCHEMBL916539 0.85 MAPK1 (0.44) SMN1; SMN2PDE7AALDH1A1HTTLMNA
SCHEMBL917615 0.83 SLC6A4 (0.39) SMN1; SMN2PDE7AALDH1A1HTTLMNA
SCHEMBL916197 0.82 PDE7A (0.37) SMN1; SMN2PDE7AALDH1A1HTTLMNA
SCHEMBL916549 0.82 RECQL (0.48) SMN1; SMN2PDE7AALDH1A1HTTLMNA
SCHEMBL916281 0.82 PDE7A (0.39) SMN1; SMN2PDE7AALDH1A1HTTLMNA
SCHEMBL916136 0.82 PDE7A (0.39) SMN1; SMN2PDE7AALDH1A1LMNAMAPT
SCHEMBL916492 0.82 PDE7A (0.39) SMN1; SMN2PDE7AALDH1A1HTTLMNA

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 SMN1; SMN2 3754/4885PDE7A 3067/4885ALDH1A1 2340/4885

“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.