SCHEMBL1640571

SCHEMBL1640571

O=C(NC1CCCCC1)c1cn(Cc2ccc(C(F)(F)F)cc2F)c(=O)cc1O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
ACKR3 P25106 2/20 0.43
CNR1 P21554 8/20 0.43
CNR2 P34972 8/20 0.43
NPC1 O15118 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
BRD4 O60885 1/20 0.40
RAB9A P51151 1/20 0.39

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
SCHEMBL1642131 0.87 CNR1 (0.51) CNR1CNR2NPC1MAPTBRD4
SCHEMBL1642163 0.86 CNR1 (0.52) TDP1CNR1CNR2
SCHEMBL1642256 0.83 MEN1 (0.49) CNR1CNR2NPC1MAPTRAB9A
SCHEMBL1642112 0.80 EGLN3 (0.45) CNR1CNR2BRD4
SCHEMBL1641956 0.79 KDM4E (0.47) MAPTSMN1; SMN2BRD4
SCHEMBL1642081 0.77 ALDH1A1 (0.53) CNR1CNR2NPC1MAPTMAPK1
SCHEMBL1641067 0.77 CNR1 (0.65) CNR1CNR2NPC1MAPTSMN1; SMN2
SCHEMBL1640740 0.75 CNR1 (0.63) CNR1CNR2NPC1MAPTSMN1; SMN2
SCHEMBL1642162 0.75 LMNA (0.43) CNR1CNR2NPC1RAB9A
SCHEMBL1642259 0.75 CNR1 (0.60) CNR1CNR2

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-20110098324-A1 PROLYL HYDROXYLASE INHIBITORS GLAXOSMITHKLINE LLC 2011-04-28 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-20110098324-A1 PROLYL HYDROXYLASE INHIBITORS HIF1AN, EGLN2, EGLN3 TDP1 2395/4885ACKR3 3406/4885CNR1 2636/4885

“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.