SCHEMBL845700

SCHEMBL845700

Cc1nocc1-c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.46
ENPP1 P22413 1/20 0.46
DHFR P00374 1/20 0.45
CYP2A6 P11509 2/20 0.44
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 5/20 0.42
HPGD P15428 4/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPK1 P28482 3/20 0.42
HSD17B10 Q99714 3/20 0.42
TP53 P04637 2/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALOX15 P16050 2/20 0.41

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
SCHEMBL25302086 0.73 ALDH1A1 (0.59) CYP2A6ALDH1A1KDM4EHPGDMAPT
SCHEMBL27953 0.73 ALDH1A1 (0.59) CYP2A6ALDH1A1KDM4EHPGDMAPT
SCHEMBL29350007 0.73 ALDH1A1 (0.59) CYP2A6ALDH1A1KDM4EHPGDMAPT
SCHEMBL13078998 0.72 DHFR (0.49) ENPP3ENPP1DHFRCYP2A6ALDH1A1
SCHEMBL27627489 0.71 DHFR (0.38) DHFRESR1ESR2LMNABDKRB2
SCHEMBL6630766 0.71 PTGS2 (0.47) ENPP3ENPP1CYP2A6ALDH1A1HPGD
SCHEMBL17836548 0.71 ALDH1A1 (0.56) CYP2A6ALDH1A1KDM4EHPGDMAPT
Bromide SCHEMBL8588309 0.71 ALDH1A1 (0.56) CYP2A6ALDH1A1KDM4EHPGDMAPT
Ammonia Solution, Strong SCHEMBL3156160 0.71 ALDH1A1 (0.56) CYP2A6ALDH1A1KDM4EHPGDMAPT
SCHEMBL18174178 0.71 ALDH1A1 (0.56) CYP2A6ALDH1A1KDM4EHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122780-A1 Compounds, Compositions and Methods for Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-17 US disclosed
US-20120122780-A1 Compounds, Compositions and Methods for Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-17 US disclosed
US-20120122780-A1 Compounds, Compositions and Methods for Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-17 US disclosed
EP-2432774-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING URIC ACID LEVELS Ardea Biosciences, Inc. (US) 2012-03-28 EP disclosed
WO-2010135530-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES, INC. (US) 2010-11-25 WO disclosed
WO-2010135530-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES, INC. (US) 2010-11-25 WO 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-20120122780-A1 Compounds, Compositions and Methods for Modulating Uric Acid Levels XDH, PON1, RBP4 ENPP3 1585/4885ENPP1 1646/4885DHFR 1228/4885

“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.