SCHEMBL916278

SCHEMBL916278

CN(C(=O)OC(C)(C)C)c1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3ccccc3F)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NOD2 Q9HC29 1/20 0.36
BRD4 O60885 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 6/20 0.33
MAPT P10636 5/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TP53 P04637 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL917442 0.90 BRD4 (0.35) SLC6A4BRD4ALDH1A1MAPTSMN1; SMN2
SCHEMBL916862 0.89 BRD4 (0.37) SLC6A4BRD4ALDH1A1MAPTSMN1; SMN2
SCHEMBL917572 0.86 MEN1 (0.39) BRD4ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL917652 0.86 BRD4 (0.34) SLC6A4BRD4ALDH1A1MAPTLMNA
SCHEMBL916662 0.86 ALDH1A1 (0.36) SLC6A4BRD4ALDH1A1MAPTLMNA
SCHEMBL917639 0.86 MAPT (0.40) SLC6A4NPC1RAB9ABRD4ALDH1A1
SCHEMBL917635 0.85 RECQL (0.40) RAB9ABRD4ALDH1A1MAPTSMN1; SMN2
SCHEMBL918074 0.85 BRD4 (0.34) SLC6A4BRD4ALDH1A1MAPTLMNA
SCHEMBL914973 0.84 KDM4E (0.36) RAB9ABRD4ALDH1A1MAPTSMN1; SMN2
SCHEMBL916739 0.84 BRD4 (0.34) SLC6A4BRD4ALDH1A1MAPTLMNA

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-20110009428-A1 NOVEL ANDROGENS N.V. ORGANON (NL) 2011-01-13 US disclosed
US-7812036-B2 Androgens N.V. ORGANON (NL) 2010-10-12 US disclosed
EP-1742912-B1 NOVEL ANDROGENS ORGANON NV (NL) 2010-08-25 EP disclosed
US-20070225352-A1 Novel Androgens PHARMACOPELA DRUG DISCOVERY, INC. (US) 2007-09-27 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-20070225352-A1 Novel Androgens NR5A1, AR, SHBG SLC6A4 374/4885NPC1 694/4885RAB9A 4165/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 SLC6A4 582/4885NPC1 1001/4885RAB9A 3954/4885

“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.