SCHEMBL6594115

SCHEMBL6594115

CCCCCS(=O)(=O)Nn1cccn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.35
NOS1 P29475 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL6305580 0.71 POLB (0.33) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL1824038 0.70 CYP4Z1 (0.41) NOS1ALDH1A1
SCHEMBL21796145 0.69 CYP4Z1 (0.43) NOS1
SCHEMBL8910376 0.68 HPGD (0.54) HPGDKDM4ELMNAALDH1A1MAPT
SCHEMBL854766 0.64
SCHEMBL301013 0.64 FAAH (0.50) HPGDKDM4E
SCHEMBL4565920 0.64 FAAH (0.50) HPGDKDM4E
SCHEMBL21024625 0.62 KDM4E (0.66) HPGDKDM4ELMNAALDH1A1MAPT
SCHEMBL2036508 0.62 FAAH (0.41) GAAMEN1MAPK1KMT2A
SCHEMBL251932 0.62 AR (0.60) HPGDKDM4ELMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257539-B1 AMINO PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF OBESITY AND OTHER DISORDERS ORTHO MCNEIL PHARM INC (US) 2004-12-29 EP disclosed
US-6531478-B2 For therapy of eating disorder, obesity, bulimia nervosa, diabetes, binge eating, anorexia nervosa, dyslipidimia, hypertension, memory loss, epileptic seizures, migraine, sleep disturbances, pain, sexual/reproductive disorders KORDIK CHERYL P (US) 2003-03-11 US disclosed
EP-1257539-A2 AMINO PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF OBESITY AND OTHER DISORDERS Ortho-Mcneil Pharmaceutical, Inc. (US) 2002-11-20 EP disclosed
US-20020065289-A1 Amino pyrazole derivatives useful for the treatment of obesity and other disorders KORDIK CHERYL P (US) 2002-05-30 US disclosed
WO-2001062737-A2 AMINO PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF OBESITY AND OTHER DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-08-30 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-20020065289-A1 Amino pyrazole derivatives useful for the treatment of obesity and other disorders NPY5R, NPY1R, NPY4R HPGD 1526/4885KDM4E 2084/4885LMNA 3821/4885

“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.