SCHEMBL3822883

SCHEMBL3822883

Cc1cccc(-c2nc(C)oc2C(N)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.46
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
RXRG P48443 2/20 0.45
NR4A2 P43354 1/20 0.45
SLC9A1 P19634 3/20 0.45
CSNK1D P48730 1/20 0.44
CSNK1E P49674 1/20 0.44
MAPK14 Q16539 1/20 0.44
PARP1 P09874 1/20 0.44
DHODH Q02127 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TLR8 Q9NR97 1/20 0.42
MAP2K4 P45985 1/20 0.41
RAB9A P51151 3/20 0.41
CDC7 O00311 1/20 0.40
KMO O15229 1/20 0.40
PIN1 Q13526 1/20 0.40
NPC1 O15118 2/20 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
SCHEMBL3826031 0.86 SLC9A1 (0.44) NR4A2SLC9A1PARP1ALDH1A1KDM4E
SCHEMBL5008392 0.84 KDM4E (0.58) NR4A2MAPK14ALDH1A1KDM4ETSHR
SCHEMBL3824652 0.83 IKBKB (0.55) RIPK2RXRARXRBSLC9A1PARP1
SCHEMBL3822654 0.82 KDM4E (0.55) RXRARXRBNR4A2MAPK14DHODH
SCHEMBL3823644 0.81 IKBKB (0.49) RXRARXRBPARP1ALDH1A1KDM4E
SCHEMBL9900638 0.77 RXRA (0.45) RXRARXRBRXRGNR4A2SLC9A1
SCHEMBL10263008 0.76 RAB9A (0.47) RXRARXRBRXRGNR4A2MAPK14
SCHEMBL3826511 0.76 IKBKB (0.47) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL3821967 0.76 PTGS2 (0.51) DHODHALDH1A1KDM4ERAB9ANPC1
SCHEMBL3822888 0.73 DPP4 (0.49) RXRARXRBRXRGNR4A2MAPK14

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 RIPK2 2526/4885RXRA 4243/4885RXRB 3896/4885

“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.