SCHEMBL6580398

SCHEMBL6580398

COC(=O)c1ccc(-c2nn(-c3ccccc3)cc2NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.54
ALDH1A1 P00352 9/20 0.52
MEN1 O00255 8/20 0.52
KMT2A Q03164 8/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 11/20 0.52
HPGD P15428 6/20 0.52
POLB P06746 1/20 0.52
HSP90AA1 P07900 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 9/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
HTT P42858 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL6585196 0.89 MAPT (0.54) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL7505481 0.83 MAPT (0.54) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL23928522 0.78 MAPT (0.74) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL23928479 0.76 KMT2A (0.70) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4190133 0.75 MAPT (0.58) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6580392 0.74 POLB (0.53) MAPTALDH1A1POLBLMNASMN1; SMN2
SCHEMBL23928616 0.73 MAPT (0.77) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL23928554 0.72 CA12 (0.72) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL21761420 0.71 ALDH1A1 (0.69) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL12670646 0.71 PTGS2 (0.67) MAPTALDH1A1MEN1KMT2AL3MBTL1

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 3 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
US-20020065289-A1 Amino pyrazole derivatives useful for the treatment of obesity and other disorders KORDIK CHERYL P (US) 2002-05-30 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-20020065289-A1 Amino pyrazole derivatives useful for the treatment of obesity and other disorders NPY5R, NPY1R, NPY4R MAPT 2451/4885ALDH1A1 3758/4885MEN1 2836/4885

“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.