SCHEMBL16780930

SCHEMBL16780930

O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
ADORA3 P0DMS8 2/20 0.58
ALDH1A1 P00352 4/20 0.56
MAPT P10636 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TRPA1 O75762 1/20 0.54
KCNK3 O14649 1/20 0.53
ELOVL1 Q9BW60 1/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 3/20 0.50
HTT P42858 2/20 0.50
TSHR P16473 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL22246858 0.88 LMNA (0.74) LMNAADORA3ALDH1A1MAPTSMN1; SMN2
SCHEMBL20485265 0.83 ELOVL1 (0.72) ALDH1A1MAPTTRPA1ELOVL1MEN1
SCHEMBL28121166 0.82 MAPT (0.47) LMNAADORA3ALDH1A1MAPTSMN1; SMN2
SCHEMBL20249946 0.80 ELOVL1 (0.75) ALDH1A1ELOVL1
SCHEMBL10417190 0.79 ALDH1A1 (0.55) LMNAALDH1A1MAPTTRPA1ELOVL1
SCHEMBL10274601 0.79 KDM1A (0.51) LMNAALDH1A1MAPTSMN1; SMN2TRPA1
SCHEMBL45338 0.79 KDM1A (0.51) LMNAALDH1A1MAPTSMN1; SMN2TRPA1
SCHEMBL20485374 0.78 ELOVL1 (0.72) ALDH1A1MAPTTRPA1ELOVL1MEN1
SCHEMBL20249949 0.78 ELOVL1 (0.74) LMNAALDH1A1MAPTTRPA1ELOVL1
SCHEMBL46581 0.78 F10 (0.43) LMNAADORA3ALDH1A1MAPTSMN1; SMN2

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-20150164904-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 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-20150164904-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A1 LMNA 3035/4885ADORA3 257/4885ALDH1A1 2974/4885

“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.