SCHEMBL916462

SCHEMBL916462

COCCNc1ccc2c(Sc3ccccc3C#N)cn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
P2RX7 Q99572 5/20 0.36
POLB P06746 3/20 0.35
HPGD P15428 4/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
XDH P47989 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32
IMPDH2 P12268 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
SCHEMBL917251 0.89 ALDH1A1 (0.34) LMNAALDH1A1SMN1; SMN2P2RX7POLB
SCHEMBL916264 0.88 ALDH1A1 (0.34) LMNAALDH1A1SMN1; SMN2P2RX7POLB
SCHEMBL915366 0.87 ALDH1A1 (0.36) LMNAALDH1A1SMN1; SMN2P2RX7POLB
SCHEMBL709121 0.83 P2RX7 (0.44) LMNAALDH1A1SMN1; SMN2GAAP2RX7
SCHEMBL5498286 0.83 PGR (0.43) P2RX7XDHIMPDH2
SCHEMBL917610 0.82 LMNA (0.36) LMNAALDH1A1SMN1; SMN2GAAP2RX7
SCHEMBL916474 0.81 IMPDH2 (0.40) LMNAALDH1A1POLBHPGDXDH
SCHEMBL916794 0.80 CYP1A2 (0.41) LMNAALDH1A1SMN1; SMN2P2RX7POLB
SCHEMBL917250 0.78 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2GAAPOLBCYP1A2
SCHEMBL916806 0.74 MAPT (0.35) LMNAALDH1A1SMN1; SMN2GAAP2RX7

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 LMNA 2915/4885ALDH1A1 2340/4885SMN1; SMN2 3754/4885

“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.