SCHEMBL915772

SCHEMBL915772

NCc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3ccc(F)cc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 6/20 0.44
HTT P42858 4/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
HSP90AA1 P07900 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PDE7A Q13946 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
SERPINE1 P05121 1/20 0.39
SOS1 Q07889 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL916624 0.93 PDE7A (0.40) KMT2AMEN1POLBALDH1A1HTT
SCHEMBL915352 0.93 PDE7A (0.43) KMT2AMEN1POLBALDH1A1HTT
SCHEMBL916539 0.91 MAPK1 (0.44) KMT2AMEN1POLBALDH1A1HTT
SCHEMBL917614 0.88 SMN1; SMN2 (0.39) KMT2AMEN1POLBALDH1A1HTT
SCHEMBL916549 0.87 RECQL (0.48) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL916492 0.85 PDE7A (0.39) KMT2AMEN1POLBALDH1A1HTT
SCHEMBL915774 0.85 KMT2A (0.42) KMT2AMEN1POLBALDH1A1HTT
SCHEMBL916281 0.85 PDE7A (0.39) KMT2AMEN1POLBALDH1A1HTT
SCHEMBL916099 0.84 PDE7A (0.37) KMT2AMEN1POLBALDH1A1HTT
SCHEMBL916197 0.84 PDE7A (0.37) KMT2AMEN1ALDH1A1HTTMAPT

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 KMT2A 3473/4885MEN1 2248/4885POLB 3139/4885

“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.