SCHEMBL916153

SCHEMBL916153

CNc1ccc2c(Sc3ccccc3C(C)=O)cn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
MAPK1 P28482 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 3/20 0.37
SERPINE1 P05121 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NOD2 Q9HC29 1/20 0.36
P2RX3 P56373 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CNR2 P34972 1/20 0.34
FSCN1 Q16658 1/20 0.33
S1PR3 Q99500 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
SCHEMBL916292 0.90 P2RX3 (0.38) POLBMAPK1KMT2AMEN1ALDH1A1
SCHEMBL916395 0.84 MAPK1 (0.38) POLBMAPK1KMT2AMEN1ALDH1A1
SCHEMBL916625 0.82 SLC6A2 (0.39) POLBMAPK1KMT2AMEN1ALDH1A1
SCHEMBL915366 0.81 ALDH1A1 (0.36) POLBMAPK1KMT2AMEN1ALDH1A1
SCHEMBL708249 0.78 HDAC1 (0.46) ALDH1A1GAASMN1; SMN2CNR2
SCHEMBL916135 0.78 KMT2A (0.35) POLBMAPK1KMT2AMEN1ALDH1A1
SCHEMBL915944 0.78 POLB (0.37) POLBMAPK1KMT2AMEN1ALDH1A1
SCHEMBL710383 0.78 CNR1 (0.45) POLBALDH1A1TP53CNR2
SCHEMBL916201 0.77 KDM4E (0.36) POLBMAPK1KMT2AMEN1ALDH1A1
SCHEMBL710045 0.77 PDE7A (0.41) POLBMAPK1KMT2AMEN1ALDH1A1

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 POLB 4152/4885MAPK1 2237/4885KMT2A 1595/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 POLB 3139/4885MAPK1 3221/4885KMT2A 3473/4885

“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.