SCHEMBL3825946

SCHEMBL3825946

Cc1nc(C(=O)O)c(CN)o1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.38
ALDH1A1 P00352 6/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
KDM4E B2RXH2 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA3 P42263 1/20 0.33
HSD17B10 Q99714 4/20 0.32
MAPT P10636 3/20 0.32
HTT P42858 3/20 0.32
LMNA P02545 3/20 0.32
TSHR P16473 2/20 0.32
USP2 O75604 2/20 0.32
POLB P06746 2/20 0.32
FBP1 P09467 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
HPGD P15428 2/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL3822721 0.79 TARBP2 (0.47) ALDH1A1KDM4EHSD17B10FBP1KMT2A
Bromide SCHEMBL3829777 0.78 TARBP2 (0.46) ALDH1A1KDM4EHSD17B10FBP1KMT2A
Hydrochloric Acid SCHEMBL3820081 0.78 TARBP2 (0.46) ALDH1A1KDM4EHSD17B10MAPTFBP1
SCHEMBL9297041 0.75 HSD17B10 (0.38) ALDH1A1SMN1; SMN2KDM4EHSD17B10MAPT
SCHEMBL2717653 0.75 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2KDM4EHSD17B10MAPT
SCHEMBL4806017 0.75 FBP1 (0.43) ALDH1A1FBP1HCAR2
SCHEMBL3825943 0.74 MAPT (0.38) ALDH1A1SMN1; SMN2KDM4EHSD17B10MAPT
SCHEMBL8516132 0.74 IKBKB (0.40) ALDH1A1KDM4EGRIA1GRIA3HSD17B10
SCHEMBL11741106 0.73 P2RX3 (0.44) ALDH1A1SMN1; SMN2KDM4EHSD17B10MAPT
SCHEMBL287238 0.73 ALDH1A1 (0.33) PDE4BALDH1A1SMN1; SMN2GRIA1GRIA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP claimed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US claimed
EP-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 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-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF PYGL, GYS2, G6PC1 PDE4B 408/4885ALDH1A1 775/4885SMN1; SMN2 4002/4885

“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.