SCHEMBL5636629

SCHEMBL5636629

O=[N+]([O-])c1ccccc1S(=O)(=O)NCCOc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
NPC1 O15118 1/20 0.59
MAPT P10636 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ALDH1A1 P00352 4/20 0.56
AR P10275 1/20 0.56
HTT P42858 2/20 0.54
CYP19A1 P11511 1/20 0.54
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.50
NPY5R Q15761 1/20 0.49

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
SCHEMBL38654855 0.86 KMT2A (0.67) KMT2AMEN1ALDH1A1HTTCYP19A1
SCHEMBL30649118 0.84 KMT2A (0.71) KMT2AMEN1ALDH1A1HTTCYP19A1
SCHEMBL4389696 0.84 KMT2A (0.71) KMT2AMEN1ALDH1A1HTTCYP19A1
SCHEMBL2747531 0.83 KMT2A (0.64) KMT2AMEN1NPC1MAPTRAB9A
SCHEMBL525996 0.82 KMT2A (0.51) KMT2AMEN1ALDH1A1HTTCYP19A1
SCHEMBL2360330 0.81 KMT2A (0.61) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL29571128 0.81 KMT2A (0.68) KMT2AMEN1ALDH1A1HTTCYP19A1
SCHEMBL31284709 0.81 KMT2A (0.68) KMT2AMEN1ALDH1A1HTTCYP19A1
SCHEMBL27006685 0.81 KMT2A (0.68) KMT2AMEN1ALDH1A1HTTCYP19A1
SCHEMBL525997 0.80 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1HTTCYP19A1

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
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes AMMENN ET AL, JOCHEN 2005-12-08 US disclosed
EP-1505968-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2005-02-16 EP disclosed
WO-2003097047-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2003-11-27 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-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes MC1R, MC4R, MC5R KMT2A 2662/4885MEN1 494/4885NPC1 457/4885

“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.