SCHEMBL917635

SCHEMBL917635

CN(C(=O)OC(C)(C)C)c1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3cccc(Cl)c3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.40
CRHR1 P34998 1/20 0.38
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.36
BRD4 O60885 1/20 0.36
PDE7A Q13946 2/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 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
SCHEMBL916862 0.94 BRD4 (0.37) LMNAALDH1A1BRD4MAPTSMN1; SMN2
SCHEMBL917639 0.92 MAPT (0.40) LMNAALDH1A1BRD4PDE4APDE4B
SCHEMBL917572 0.90 MEN1 (0.39) LMNAALDH1A1BRD4MAPTSMN1; SMN2
SCHEMBL917442 0.88 BRD4 (0.35) LMNAALDH1A1BRD4PDE7AMAPT
SCHEMBL914973 0.87 KDM4E (0.36) LMNAALDH1A1BRD4PDE4APDE4B
SCHEMBL916278 0.85 SLC6A4 (0.36) LMNAALDH1A1BRD4MAPTSMN1; SMN2
SCHEMBL916662 0.84 ALDH1A1 (0.36) LMNAALDH1A1BRD4MAPTPOLB
SCHEMBL918074 0.83 BRD4 (0.34) LMNAALDH1A1BRD4MAPTPOLB
SCHEMBL917652 0.82 BRD4 (0.34) LMNAALDH1A1BRD4MAPTPOLB
SCHEMBL916739 0.82 BRD4 (0.34) LMNAALDH1A1BRD4MAPTPOLB

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 RECQL 4179/4885CRHR1 129/4885LMNA 3044/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 RECQL 2782/4885CRHR1 33/4885LMNA 2915/4885

“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.