SCHEMBL4544975

SCHEMBL4544975

[CH2-][NH2+]/C(C(=O)OCCCCC)=C(/O)c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
NPC1 O15118 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
NAAA Q02083 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 4/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
ALPI P09923 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL4544949 0.89 TSHR (0.48) LMNANPC1CYP3A4SMN1; SMN2L3MBTL1
SCHEMBL4544986 0.88 TSHR (0.49) LMNANPC1CYP3A4SMN1; SMN2TSHR
SCHEMBL4544968 0.82 LMNA (0.52) LMNANPC1CYP3A4CYP1A2CYP2D6
SCHEMBL4544967 0.81 ALDH1A1 (0.40) LMNANPC1TSHRTP53ALDH1A1
Isonicotinic Acid Pentyl Ester SCHEMBL1645891 0.75 LMNA (0.66) LMNANPC1CYP3A4CYP1A2CYP2D6
Isonicotinic Acid Hexyl Ester SCHEMBL4951158 0.74 LMNA (0.68) LMNANPC1CYP3A4CYP1A2CYP2D6
N-Decyl Isonicotinate SCHEMBL4957558 0.74 LMNA (0.68) LMNANPC1CYP3A4CYP1A2CYP2D6
SCHEMBL4544970 0.74 TSHR (0.54) LMNANAAATSHRALDH1A1
SCHEMBL4544960 0.74 TSHR (0.54) LMNANAAATSHRALDH1A1
SCHEMBL10780701 0.74 LMNA (0.68) LMNANPC1CYP3A4CYP1A2CYP2D6

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-8298736-B2 Electrophotographic toner KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2012-10-30 US disclosed
US-8178267-B2 Electrophotographic toner KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2012-05-15 US disclosed
US-20090291377-A1 ELECTROPHOTOGRAPHIC TONER KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2009-11-26 US disclosed
US-20090291381-A1 ELECTROPHOTOGRAPHIC TONER KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2009-11-26 US disclosed
US-20090233207-A1 PYRAZOLOTRIAZOLE COMPOUND AND ELECTROPHOTOGRAPHIC TONER KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2009-09-17 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 (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-20090233207-A1 PYRAZOLOTRIAZOLE COMPOUND AND ELECTROPHOTOGRAPHIC TONER HAX1, XDH, GLRX3 LMNA 4159/4885NPC1 4186/4885CYP3A4 78/4885

“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.