SCHEMBL916395

SCHEMBL916395

CNc1ccc2c(Sc3ccccc3CO)cn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 4/20 0.36
SLC6A4 P31645 2/20 0.34
SLC6A2 P23975 1/20 0.34
P2RX7 Q99572 3/20 0.34
S1PR3 Q99500 1/20 0.33
MAPT P10636 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.32
IFNAR1 P17181 1/20 0.32

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
SCHEMBL916153 0.84 POLB (0.43) MAPK1KMT2APOLBMEN1ALDH1A1
SCHEMBL711475 0.84 PLA2G2A (0.39) KMT2APOLBMEN1ALDH1A1SLC6A4
SCHEMBL915366 0.83 ALDH1A1 (0.36) MAPK1KMT2APOLBMEN1ALDH1A1
SCHEMBL916292 0.82 P2RX3 (0.38) MAPK1KMT2APOLBMEN1ALDH1A1
SCHEMBL916625 0.81 SLC6A2 (0.39) MAPK1KMT2APOLBMEN1ALDH1A1
SCHEMBL916135 0.80 KMT2A (0.35) MAPK1KMT2APOLBMEN1ALDH1A1
SCHEMBL916730 0.76 BRD4 (0.39) MAPK1KMT2APOLBMEN1ALDH1A1
SCHEMBL916264 0.75 ALDH1A1 (0.34) MAPK1KMT2APOLBMEN1ALDH1A1
SCHEMBL13356738 0.74 MAPT (0.39) MAPK1KMT2APOLBMEN1ALDH1A1
SCHEMBL916541 0.74 MAPK1 (0.42) MAPK1KMT2APOLBMEN1ALDH1A1

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 2 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
EP-1742912-B1 NOVEL ANDROGENS ORGANON NV (NL) 2010-08-25 EP 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 (1 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-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 MAPK1 3221/4885KMT2A 3473/4885POLB 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.