SCHEMBL3825879

SCHEMBL3825879

Cc1nc(COc2ccccc2)oc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
POLB P06746 3/20 0.46
GRM5 P41594 1/20 0.46
HPGD P15428 2/20 0.44
PARP10 Q53GL7 2/20 0.42
IKBKB O14920 1/20 0.42
PPARD Q03181 2/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL3822439 0.82 ALOX5 (0.43) MAPTPOLBPARP10RAB9ASMN1; SMN2
SCHEMBL3828276 0.78 MEN1 (0.44) MAPTPOLBHPGDALDH1A1KMT2A
SCHEMBL3826604 0.77 LMNA (0.36) MAPTPOLBGRM5ALDH1A1KMT2A
SCHEMBL3822113 0.77 MEN1 (0.46) MAPTPOLBHPGDNPC1RAB9A
SCHEMBL3825885 0.75 RAB9A (0.44) MAPTPOLBGRM5HPGDNPC1
SCHEMBL3826649 0.75 HPGD (0.46) MAPTPOLBGRM5HPGDPPARD
SCHEMBL3826911 0.74 KMT2A (0.45) MAPTHPGDNPC1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL3820088 0.74 RAB9A (0.43) MAPTPOLBGRM5HPGDNPC1
SCHEMBL15229109 0.74 MAPT (0.43) MAPTPOLBGRM5SMN1; SMN2ALDH1A1
SCHEMBL15228929 0.73 MAPT (0.43) MAPTPOLBGRM5SMN1; SMN2ALDH1A1

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 MAPT 2112/4885POLB 2667/4885GRM5 3013/4885

“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.