SCHEMBL916474

SCHEMBL916474

CC(C)(C)OC(=O)Nc1ccc2c(Sc3ccccc3C#N)cn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.40
AR P10275 5/20 0.39
HPGD P15428 2/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TTK P33981 1/20 0.38
XDH P47989 2/20 0.38
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ACSS2 Q9NR19 1/20 0.36
RORC P51449 1/20 0.36
LMNA P02545 2/20 0.36
EGLN2 Q96KS0 1/20 0.36
HTT P42858 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
SCHEMBL915401 0.88 HDAC10 (0.37) POLBALDH1A1MEN1KMT2AACSS2
SCHEMBL710566 0.85 ABCC9 (0.37) ALDH1A1MEN1MAPTKMT2AACSS2
SCHEMBL916230 0.84 IMPDH2 (0.40) IMPDH2ARHPGDPOLBALDH1A1
SCHEMBL915366 0.84 ALDH1A1 (0.36) IMPDH2HPGDPOLBALDH1A1XDH
SCHEMBL916614 0.83 GAA (0.36) HPGDPOLBALDH1A1MEN1MAPT
SCHEMBL917251 0.82 ALDH1A1 (0.34) IMPDH2HPGDPOLBALDH1A1XDH
SCHEMBL5498286 0.82 PGR (0.43) IMPDH2ARXDH
SCHEMBL916264 0.82 ALDH1A1 (0.34) HPGDPOLBALDH1A1XDHMEN1
SCHEMBL916462 0.81 LMNA (0.36) IMPDH2HPGDPOLBALDH1A1XDH
SCHEMBL709121 0.79 P2RX7 (0.44) ALDH1A1MEN1MAPTKMT2AKDM4E

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 6 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
EP-1742912-A1 NOVEL ANDROGENS N.V. Organon (NL) 2007-01-17 EP disclosed
WO-2005102998-A1 NOVEL ANDROGENS N.V. ORGANON (NL) 2005-11-03 WO 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 IMPDH2 2572/4885AR 2/4885HPGD 791/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 IMPDH2 4438/4885AR 2/4885HPGD 2861/4885

“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.