SCHEMBL4290909

SCHEMBL4290909

CCOC(=O)Nc1cccc(OC(N)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.60
MAPK1 P28482 4/20 0.59
MAPT P10636 3/20 0.59
HSD17B10 Q99714 2/20 0.59
LMNA P02545 2/20 0.59
ALDH1A1 P00352 2/20 0.57
NPC1 O15118 3/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
FAAH O00519 1/20 0.55
CYP3A4 P08684 1/20 0.55
NPSR1 Q6W5P4 2/20 0.54
HPGD P15428 3/20 0.54
RAB9A P51151 3/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2D6 P10635 1/20 0.53

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
Desmedipham SCHEMBL725936 0.92 MAPT (0.59) MTNR1BMAPK1MAPTHSD17B10LMNA
Desmedipham SCHEMBL29516752 0.86 MAPK1 (0.68) MTNR1BMAPK1MAPTHSD17B10LMNA
SCHEMBL11511906 0.86 MTNR1B (0.60) MTNR1BMAPK1MAPTHSD17B10LMNA
Desmedipham SCHEMBL4895813 0.86 MAPK1 (0.68) MTNR1BMAPK1MAPTHSD17B10LMNA
Desmedipham SCHEMBL55084 0.86 MAPK1 (0.68) MTNR1BMAPK1MAPTHSD17B10LMNA
SCHEMBL13620569 0.85 ALDH1A1 (0.68) MAPK1LMNAALDH1A1NPC1HTT
SCHEMBL134424 0.84 MAPK1 (0.77) MTNR1BMAPK1MAPTHSD17B10LMNA
SCHEMBL29512574 0.84 MAPK1 (0.77) MTNR1BMAPK1MAPTHSD17B10LMNA
SCHEMBL6647977 0.84 MTNR1B (0.82) MTNR1BMAPK1MAPTHSD17B10LMNA
SCHEMBL7565149 0.83 MAPK1 (0.81) MTNR1BMAPK1MAPTHSD17B10LMNA

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
US-20090259062-A1 SURFACTANT COMPOSITIONS AND ASSOCIATED METHOD MOMENTIVE PERFORMANCE MATERIALS INC. 2009-10-15 US disclosed
US-7601680-B2 Gemini silicone surfactant compositions and associated methods MOMENTIVE PERFORMANCE MATERIALS (US) 2009-10-13 US disclosed
US-20070134283-A1 Surfactant-based composition and associated methods GENERAL ELECTRIC COMPANY (US) 2007-06-14 US disclosed
US-20070135329-A1 Surfactant compositions and associated method GENERAL ELECTRIC COMPANY (US) 2007-06-14 US disclosed
CN-1040367-A Heterogeneous ring compound ICI PLC (GB) 1990-03-14 CN 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 (2 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-20090259062-A1 SURFACTANT COMPOSITIONS AND ASSOCIATED METHOD SGMS2, SGMS1, GMNN MTNR1B 4342/4885MAPK1 4729/4885MAPT 3690/4885
US-20070134283-A1 Surfactant-based composition and associated methods SGMS2, SGMS1, GEMIN4 MTNR1B 4758/4885MAPK1 4781/4885MAPT 2635/4885

“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.