SCHEMBL916614

SCHEMBL916614

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
BRD4 O60885 1/20 0.36
ALDH1A1 P00352 4/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
GALR3 O60755 1/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.32
PAX8 Q06710 1/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL916638 0.88 BRD4 (0.39) BRD4ALDH1A1PTGDR2KMT2AMEN1
SCHEMBL916730 0.88 BRD4 (0.39) BRD4ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL916200 0.88 BRD4 (0.36) BRD4ALDH1A1PTGDR2KMT2AMEN1
SCHEMBL915944 0.88 POLB (0.37) GAABRD4ALDH1A1RAB9ANPC1
SCHEMBL917748 0.87 KMT2A (0.36) GAABRD4ALDH1A1SMN1; SMN2KMT2A
SCHEMBL916311 0.86 BRD4 (0.35) GAABRD4ALDH1A1KMT2AMEN1
SCHEMBL917442 0.85 BRD4 (0.35) GAABRD4ALDH1A1SMN1; SMN2KMT2A
SCHEMBL917623 0.85 F2 (0.36) GAABRD4ALDH1A1RAB9ANPC1
SCHEMBL917282 0.84 BRD4 (0.36) GAABRD4ALDH1A1KMT2AMEN1
SCHEMBL917250 0.83 ALDH1A1 (0.37) GAAALDH1A1PTGDR2RAB9ASMN1; 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 GAA 4322/4885BRD4 867/4885ALDH1A1 420/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 GAA 4803/4885BRD4 688/4885ALDH1A1 2340/4885

“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.