SCHEMBL5013398

SCHEMBL5013398

CCCCCN(C(=O)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)[nH]n1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
JAK2 O60674 1/20 0.40
PAX8 Q06710 1/20 0.40
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
CDC25B P30305 1/20 0.38
PTPN11 Q06124 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADRB2 P07550 1/20 0.37
NTRK1 P04629 1/20 0.37
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
PPARG P37231 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL5013610 0.97 HTT (0.45) HTTRECQLNPC1RAB9AJAK2
SCHEMBL5010563 0.94 HTT (0.41) HTTRECQLNPC1RAB9AALDH1A1
SCHEMBL14587757 0.91 ALDH1A1 (0.47) HTTRECQLNPC1RAB9AALDH1A1
SCHEMBL5008310 0.90 TP53 (0.46) HTTRECQLNPC1RAB9AALDH1A1
SCHEMBL14587645 0.90 NPC1 (0.42) HTTRECQLNPC1RAB9AALDH1A1
SCHEMBL5010820 0.89 HTT (0.43) HTTRECQLNPC1RAB9AALDH1A1
SCHEMBL14587755 0.89 SMN1; SMN2 (0.40) HTTRECQLNPC1RAB9AALDH1A1
SCHEMBL14587756 0.89 ALDH1A1 (0.44) HTTRECQLNPC1RAB9AALDH1A1
SCHEMBL14587759 0.88 HTT (0.40) HTTRECQLNPC1RAB9AALDH1A1
SCHEMBL5008214 0.88 HTT (0.41) HTTRECQLNPC1RAB9AALDH1A1

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 766/4885NPC1 2838/4885

“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.