SCHEMBL12840224

SCHEMBL12840224

CC(C)=Cc1nc2c(nc1NC(=O)Cc1ccc(O)cc1)CCc1cc(F)ccc1-2

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ROCK2 O75116 1/20 0.35
KCNQ2 O43526 1/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
IKBKB O14920 1/20 0.33
KMT2A Q03164 5/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPK14 Q16539 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ATM Q13315 1/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 3/20 0.32
ROCK1 Q13464 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
SCHEMBL13068308 0.93 AKR1B1 (0.37) ROCK2BCHEACHEIKBKBALDH1A1
SCHEMBL12840229 0.92 NPC1 (0.35) SMN1; SMN2NPC1RAB9AROCK2KCNQ2
SCHEMBL13067757 0.92 ENPP2 (0.38) SMN1; SMN2NPC1RAB9AROCK2IKBKB
SCHEMBL12840235 0.92 ALDH1A1 (0.37) NPC1RAB9AROCK2ALDH1A1MAPK14
SCHEMBL12840239 0.92 TSHR (0.39) SMN1; SMN2NPC1RAB9AKCNQ2IKBKB
SCHEMBL13067900 0.89 CDK2 (0.35) SMN1; SMN2ROCK2BCHEACHEIKBKB
SCHEMBL12840237 0.89 MEN1 (0.41) SMN1; SMN2KMT2AALDH1A1HPGDMEN1
SCHEMBL12840129 0.88 NLRP3 (0.40) SMN1; SMN2NPC1RAB9AROCK2KCNQ2
SCHEMBL12840244 0.88 IKBKB (0.43) SMN1; SMN2RAB9AROCK2KCNQ2IKBKB
SCHEMBL12840152 0.88 NLRP3 (0.39) SMN1; SMN2NPC1RAB9AIKBKBKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110070656-A1 Fluorescent Proteins JNC CORPORATION (JP) 2011-03-24 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 (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-20110070656-A1 Fluorescent Proteins CACYBP, CHLSN, LCP2 SMN1; SMN2 4784/4885NPC1 2936/4885RAB9A 2980/4885

“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.