SCHEMBL917748

SCHEMBL917748

CN(C(=O)OC(C)(C)C)c1ccc2c(Sc3ccccc3C(N)=O)cn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 2/20 0.36
BRD4 O60885 1/20 0.36
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.32
PAX8 Q06710 1/20 0.32
SERPINE1 P05121 1/20 0.32
GRM2 Q14416 1/20 0.31
DRD2 P14416 1/20 0.31
HTR6 P50406 1/20 0.31
GAA P10253 1/20 0.31
F10 P00742 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL915944 0.93 POLB (0.37) KMT2AMEN1POLBBRD4ALDH1A1
SCHEMBL916200 0.93 BRD4 (0.36) KMT2AMEN1POLBBRD4ALDH1A1
SCHEMBL916311 0.91 BRD4 (0.35) KMT2AMEN1POLBBRD4ALDH1A1
SCHEMBL916730 0.90 BRD4 (0.39) KMT2AMEN1POLBBRD4ALDH1A1
SCHEMBL916638 0.88 BRD4 (0.39) KMT2AMEN1POLBBRD4ALDH1A1
SCHEMBL916614 0.87 GAA (0.36) KMT2AMEN1POLBBRD4ALDH1A1
SCHEMBL917442 0.85 BRD4 (0.35) KMT2AMEN1POLBBRD4ALDH1A1
SCHEMBL917282 0.84 BRD4 (0.36) KMT2AMEN1POLBBRD4ALDH1A1
SCHEMBL711445 0.80 PLA2G2A (0.44) KMT2AMEN1POLBALDH1A1GAA
SCHEMBL716247 0.78 SLC6A4 (0.33) KMT2AMEN1POLBALDH1A1SMN1; SMN2

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 KMT2A 1595/4885MEN1 326/4885POLB 4152/4885
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.