SCHEMBL1750448

SCHEMBL1750448

O=C(O)c1ccc(NC(=O)C2CCCC2)c(OC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 2/20 0.46
KMT2A Q03164 2/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 2/20 0.44
PTGFR P43088 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
HCAR3 P49019 1/20 0.41
PKM P14618 1/20 0.41
IP6K1 Q92551 1/20 0.41
IP6K3 Q96PC2 1/20 0.41
IP6K2 Q9UHH9 1/20 0.41
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL6205841 0.94 IP6K1 (0.47) PYGLSMN1; SMN2KDM4EHSD17B10IP6K1
SCHEMBL1749404 0.84 SMN1; SMN2 (0.64) PYGLSMN1; SMN2KDM4EHSD17B10KMT2A
SCHEMBL4604019 0.82 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AGAAHPGDALDH1A1
SCHEMBL7605672 0.79 SMN1; SMN2 (0.68) SMN1; SMN2KDM4EHSD17B10KMT2ATSHR
SCHEMBL25139511 0.79 KDM4E (0.63) PYGLSMN1; SMN2KDM4EKMT2ATSHR
SCHEMBL30048611 0.79 KDM4E (0.63) PYGLSMN1; SMN2KDM4EKMT2ATSHR
SCHEMBL27051590 0.77 RAB9A (0.43) PYGLSMN1; SMN2KDM4EKMT2ATSHR
SCHEMBL2915188 0.76 PTPN1 (0.49) SMN1; SMN2KDM4EHSD17B10IP6K1IP6K3
SCHEMBL27051591 0.76 POLB (0.45) SMN1; SMN2KDM4EKMT2ATSHRMEN1
SCHEMBL1749706 0.76 KMT2A (0.57) SMN1; SMN2KDM4EHSD17B10KMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 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 (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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 PYGL 397/4885SMN1; SMN2 1857/4885KDM4E 2966/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 PYGL 356/4885SMN1; SMN2 1946/4885KDM4E 2896/4885

“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.