SCHEMBL2313327

SCHEMBL2313327

CC(=NN)c1cc(F)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
MGLL Q99685 1/20 0.45
NPC1 O15118 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 4/20 0.42
MAPT P10636 1/20 0.42
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
MAOB P27338 1/20 0.38
AR P10275 2/20 0.37
HTT P42858 1/20 0.37
KDM1A O60341 1/20 0.37
P2RX1 P51575 1/20 0.36
TMPRSS4 Q9NRS4 1/20 0.36
KEAP1 Q14145 1/20 0.36

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
SCHEMBL29135580 0.82 MGLL (0.64) ESR1ESR2MGLLNPC1NPSR1
SCHEMBL30716970 0.82 MGLL (0.64) ESR1ESR2MGLLNPC1NPSR1
SCHEMBL2315055 0.80 ESR1 (0.50) ESR1ESR2MGLLNPC1ALDH1A1
SCHEMBL2704158 0.80 ESR1 (0.50) ESR1ESR2MGLLNPC1ALDH1A1
SCHEMBL16476581 0.80 ESR1 (0.50) ESR1ESR2MGLLNPC1ALDH1A1
SCHEMBL22319627 0.77 KDM1A (0.50) NPC1ALDH1A1MAPTHTTKDM1A
SCHEMBL20598000 0.77 KDM1A (0.50) NPC1ALDH1A1MAPTHTTKDM1A
SCHEMBL2317442 0.74 MAPT (0.50) NPC1ALDH1A1MAPTARHTT
SCHEMBL10290613 0.74 CA3 (0.43) ESR1ESR2MGLLNPC1NPSR1
SCHEMBL31231917 0.74 P2RX1 (0.50) ALDH1A1CA3CA6CA5ACA9

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-20110189306-A1 COMPOUNDS, COMPOSITIONS AND TREATMENTS FOR V-ATPase RELATED DISEASES KARTNER NORBERT 2011-08-04 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-20110189306-A1 COMPOUNDS, COMPOSITIONS AND TREATMENTS FOR V-ATPase RELATED DISEASES ATP6V1E1, ATP6V1G1, ATP6V1H ESR1 4344/4885ESR2 4357/4885MGLL 2158/4885

“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.