SCHEMBL5010906

SCHEMBL5010906

CN(C)CCNC(=O)c1ccc(CNC(=O)c2cc(NC(=O)c3cc(F)c(F)cc3Cl)[nH]n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.43
NTRK1 P04629 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PPARG P37231 7/20 0.42
IKBKB O14920 2/20 0.41
NR1H4 Q96RI1 1/20 0.41
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
MAPK14 Q16539 1/20 0.40
LSS P48449 1/20 0.39
CYP1A2 P05177 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 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
SCHEMBL5010499 0.90 PPARG (0.45) NTRK1HPGDPPARGNR1H4HDAC4
SCHEMBL14587733 0.90 NTRK1 (0.47) NTRK1HPGDSMN1; SMN2CYP1A2
SCHEMBL5012114 0.88 PPARG (0.45) PPARGNR1H4HDAC4HDAC1HDAC7
SCHEMBL14587766 0.88 PPARG (0.45) KMT2APPARGNR1H4HDAC4HDAC1
SCHEMBL5010430 0.87 PPARG (0.38) HPGDKMT2ASMN1; SMN2PPARGNR1H4
SCHEMBL5008260 0.87 PPARG (0.41) PPARGNR1H4HDAC4HDAC1HDAC7
SCHEMBL5010743 0.87 PPARG (0.44) KMT2APPARGNR1H4HDAC4HDAC1
SCHEMBL5010749 0.86 PPARG (0.42) PPARGNR1H4HDAC4HDAC1HDAC7
SCHEMBL14587765 0.85 PPARG (0.46) NTRK1PPARGNR1H4HDAC4HDAC1
SCHEMBL5013385 0.85 CACNA1G (0.48) PPARG

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
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 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-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL NAMPT 2652/4885NTRK1 4549/4885HPGD 3765/4885

“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.