SCHEMBL2649911

SCHEMBL2649911

N#Cc1c(NC(=O)C2CCCC2)sc2c1CCC(c1ccccc1)C2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.57
RAB9A P51151 7/20 0.57
NPC1 O15118 6/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
GAA P10253 2/20 0.57
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HPGD P15428 5/20 0.50
MAPT P10636 3/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
MAPK10 P53779 1/20 0.50
PKM P14618 1/20 0.49
KDM4E B2RXH2 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
SCHEMBL9070769 0.84 PDE4B (0.48) ALDH1A1RAB9ANPC1SMN1; SMN2GAA
SCHEMBL5458275 0.82 PDE4B (0.63) ALDH1A1RAB9ANPC1GAAL3MBTL1
SCHEMBL2648406 0.81 GCGR (0.70) ALDH1A1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL20248975 0.80 MAPT (0.78) ALDH1A1RAB9ANPC1SMN1; SMN2GAA
SCHEMBL2648282 0.78 ALDH1A1 (0.68) ALDH1A1RAB9ANPC1SMN1; SMN2GAA
SCHEMBL1207931 0.76 ALDH1A1 (0.53) ALDH1A1RAB9ANPC1SMN1; SMN2GAA
SCHEMBL20248962 0.75 ALDH1A1 (0.45) ALDH1A1RAB9ANPC1GAAL3MBTL1
SCHEMBL8292408 0.75 ALDH1A1 (0.97) ALDH1A1RAB9ANPC1SMN1; SMN2GAA
SCHEMBL2649360 0.74 GCGR (0.72) ALDH1A1RAB9ANPC1SMN1; SMN2GAA
SCHEMBL20254478 0.74 MAPT (0.49) ALDH1A1RAB9ANPC1SMN1; SMN2GAA

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-20060035958-A1 Method of treating diabetes and related conditions MERCK & CO., INC. 2006-02-16 US claimed
EP-1538903-A2 METHOD OF TREATING DIABETES AND RELATED CONDITIONS Merck & Co., Inc. (US) 2005-06-15 EP claimed
WO-2004024066-A2 METHOD OF TREATING DIABETES AND RELATED CONDITIONS MERCK & CO., INC. (US) 2004-03-25 WO claimed
US-20060035958-A1 Method of treating diabetes and related conditions MERCK & CO., INC. 2006-02-16 US disclosed
EP-1538903-A2 METHOD OF TREATING DIABETES AND RELATED CONDITIONS Merck & Co., Inc. (US) 2005-06-15 EP disclosed
WO-2004024066-A2 METHOD OF TREATING DIABETES AND RELATED CONDITIONS MERCK & CO., INC. (US) 2004-03-25 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-20060035958-A1 Method of treating diabetes and related conditions GLP1R, GPR119, GCGR ALDH1A1 2972/4885RAB9A 3932/4885NPC1 1144/4885

“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.