SCHEMBL6582516

SCHEMBL6582516

Cc1ccc(-n2nc(-c3ccc([N+](=O)[O-])cc3)cc2N)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 12/20 0.76
RAB9A P51151 7/20 0.74
SMN1; SMN2 Q16637 6/20 0.74
NPC1 O15118 6/20 0.74
MAPT P10636 6/20 0.74
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
TP53 P04637 1/20 0.74
CYP1A2 P05177 1/20 0.74
CYP3A4 P08684 1/20 0.74
CYP2C9 P11712 1/20 0.74
CYP2C19 P33261 1/20 0.74
LMNA P02545 2/20 0.68
TSHR P16473 2/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
ALDH1A1 P00352 4/20 0.64
STAT1 P42224 1/20 0.64
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52

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
SCHEMBL6582985 0.87 NPY5R (1.00) NPY5RRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL30229690 0.86 RAB9A (0.67) NPY5RRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL6582639 0.82 RAB9A (1.00) NPY5RRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL11328079 0.80 MAPT (0.72) NPY5RRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL7328104 0.80 NPY5R (0.53) NPY5RRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL7246089 0.80 NPY5R (0.82) NPY5RRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL28906662 0.79 RAB9A (1.00) NPY5RRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL28240671 0.79 RAB9A (0.85) NPY5RRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL1143708 0.79 RAB9A (1.00) NPY5RRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL1410098 0.77 NPY5R (0.52) NPY5RRAB9ASMN1; SMN2NPC1MAPT

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 NPY5R 1/4885RAB9A 2343/4885SMN1; SMN2 4189/4885

“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.