SCHEMBL916309

SCHEMBL916309

COC(=O)c1ccccc1Sc1cn(Cc2cc(F)cc(F)c2)c2cc(NCC(=O)OC(C)(C)C)ccc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.34
POLB P06746 2/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CTNNB1 P35222 1/20 0.33
TCF7L2 Q9NQB0 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 3/20 0.32
P2RX7 Q99572 3/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SERPINE1 P05121 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL916201 0.93 KDM4E (0.36) P2RX3POLBMAPK1CTNNB1TCF7L2
SCHEMBL916292 0.85 P2RX3 (0.38) P2RX3POLBMAPK1HSD17B10ALDH1A1
SCHEMBL916311 0.82 BRD4 (0.35) POLBMAPK1HSD17B10ALDH1A1KMT2A
SCHEMBL710383 0.81 CNR1 (0.45) POLBALDH1A1P2RX7LMNA
SCHEMBL916289 0.79 SLC6A2 (0.36) POLBMAPK1ALDH1A1KMT2AP2RX7
SCHEMBL915401 0.77 HDAC10 (0.37) P2RX3POLBMAPK1ALDH1A1KMT2A
SCHEMBL916153 0.77 POLB (0.43) P2RX3POLBMAPK1ALDH1A1KMT2A
SCHEMBL916474 0.75 IMPDH2 (0.40) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL710566 0.74 ABCC9 (0.37) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL916200 0.74 BRD4 (0.36) POLBMAPK1ALDH1A1KMT2AMEN1

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 P2RX3 4425/4885POLB 4152/4885MAPK1 2237/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 P2RX3 1661/4885POLB 3139/4885MAPK1 3221/4885

“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.