SCHEMBL5012277

SCHEMBL5012277

CCCCN(CC)C(=O)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
TSHR P16473 1/20 0.41
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
CRHR1 P34998 1/20 0.37
HSP90AA1 P07900 1/20 0.37
ALPL P05186 1/20 0.37
MAPT P10636 1/20 0.36
NTRK1 P04629 1/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL5010390 0.96 HTT (0.47) HTTRECQLTSHRCYP2C19CYP1A2
SCHEMBL5013595 0.92 HTT (0.43) HTTRECQLCYP2C19ALDH1A1KMT2A
SCHEMBL14587734 0.91 CYP2C19 (0.40) HTTRECQLCYP2C19ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL5012305 0.90 CYP2C19 (0.40) HTTRECQLCYP2C19ALDH1A1KMT2A
SCHEMBL5012141 0.89 HTT (0.43) HTTRECQLCYP2C19ALDH1A1KMT2A
SCHEMBL5010616 0.89 HDAC1 (0.45) HTTRECQLALDH1A1HSP90AA1NTRK1
SCHEMBL5010347 0.84 HTT (0.40) HTTRECQLALDH1A1KMT2AHSP90AA1
SCHEMBL14587649 0.84 HTT (0.44) HTTRECQLCYP2C19CYP1A2ALDH1A1
SCHEMBL5013610 0.84 HTT (0.45) HTTRECQLCYP2C19CYP1A2ALDH1A1
SCHEMBL5009816 0.83 HTT (0.43) HTTRECQLCYP2C19ALDH1A1KMT2A

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 HTT 4237/4885RECQL 766/4885TSHR 1758/4885

“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.