SCHEMBL1242082

SCHEMBL1242082

Nc1cccc(NC(=O)C2CCCC2)c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.69
ALDH1A1 P00352 2/20 0.66
HPGD P15428 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.64
KCNK3 O14649 1/20 0.62
KCNK9 Q9NPC2 1/20 0.62
LMNA P02545 3/20 0.61
DDX3X O00571 1/20 0.61
F2R P25116 1/20 0.58
USP2 O75604 1/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
PTPN1 P18031 1/20 0.56

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
SCHEMBL20332958 0.98 ALDH1A1 (0.68) NPSR1ALDH1A1HPGDSMN1; SMN2KCNK3
SCHEMBL4218895 0.98 ALDH1A1 (0.68) NPSR1ALDH1A1HPGDSMN1; SMN2KCNK3
SCHEMBL12825257 0.97 NPSR1 (0.65) NPSR1ALDH1A1HPGDSMN1; SMN2KCNK3
SCHEMBL4230443 0.93 DDX3X (0.65) NPSR1ALDH1A1HPGDSMN1; SMN2KCNK3
SCHEMBL20093477 0.87 GAA (0.57) NPSR1ALDH1A1HPGDSMN1; SMN2KCNK3
SCHEMBL2383287 0.83 NPSR1 (0.69) NPSR1ALDH1A1HPGDSMN1; SMN2KCNK3
SCHEMBL13716767 0.83 GAA (0.56) NPSR1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL12825253 0.83 ALDH1A1 (0.54) NPSR1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL13920562 0.82 NPSR1 (1.00) NPSR1ALDH1A1HPGDSMN1; SMN2KCNK3
SCHEMBL4448787 0.81 PTPN1 (0.71) NPSR1ALDH1A1HPGDSMN1; SMN2LMNA

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-2377856-A1 Urea glucokinase activators NOVO NORDISK A/S (DK) 2011-10-19 EP disclosed
US-20110077234-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2011-03-31 US disclosed
US-7884210-B2 {2-[3-(2-Cyclohex-1-enyl-ethyl)-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid; for treatment of type 2 diabetes NOVO NORDISK A/S (DK) 2011-02-08 US disclosed
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP 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-20110077234-A1 Urea Glucokinase Activators GCK, GCKR, HK2 NPSR1 4621/4885ALDH1A1 1040/4885HPGD 1380/4885

“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.