SCHEMBL2199010

SCHEMBL2199010

Cc1c(C(=O)O)nn(C)c1-c1ccccc1-c1cc2ccccc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 7/20 0.45
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
F2RL3 Q96RI0 3/20 0.42
POLB P06746 2/20 0.42
IKBKB O14920 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 1/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 1/20 0.39
TOP2A P11388 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
SCHEMBL2203144 0.86 MAPT (0.50) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL2199009 0.84 GRM5 (0.46) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL2201258 0.80 ALDH1A1 (0.42) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL2201674 0.79 DRD3 (0.40) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL2202074 0.78 ALDH1A1 (0.47) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL2200712 0.77 GRIN2B (0.44) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL2197343 0.77 EIF4E (0.51) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2199129 0.76 KDM4E (0.46) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL2201625 0.76 KDM4E (0.58) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL3689666 0.76 POLR1A (0.41) ALDH1A1MAPTTSHRHPGDSMN1; SMN2

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
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 KDM4E 3694/4885ALDH1A1 1476/4885TDP1 3303/4885

“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.