SCHEMBL14947847

SCHEMBL14947847

CCCCC(CC)COC(=O)c1ccc(N/N=C(/C(C)=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C(=O)OCC(CC)CCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP3A4 P08684 2/20 0.45
CA2 P00918 1/20 0.45
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
LMNA P02545 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 8/20 0.36
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
HTT P42858 4/20 0.36
GAA P10253 2/20 0.36
ALOX12 P18054 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36

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
SCHEMBL14947843 0.88 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL14950786 0.87 ALDH1A1 (0.53) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL14950977 0.83 ALDH1A1 (0.53) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL7734709 0.79 ALDH1A1 (0.68) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL14947835 0.78 KMT2A (0.39) ALDH1A1MAPK1CYP3A4LMNASMN1; SMN2
SCHEMBL19809131 0.74 ALDH1A1 (0.55) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL3697616 0.72 ALDH1A1 (0.58) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL1500563 0.72 ALDH1A1 (0.65) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL9581688 0.69 MAPT (0.54) ALDH1A1LMNASMN1; SMN2POLBMAPT
SCHEMBL22981 0.69 MEN1 (0.52) ALDH1A1MAPK1LMNASMN1; SMN2POLB

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-8815485-B2 Azo compound, pigment dispersant containing the azo compound, pigment composition, pigment dispersion, and toner CANON KABUSHIKI KAISHA (JP) 2014-08-26 US disclosed
US-8815485-B2 Azo compound, pigment dispersant containing the azo compound, pigment composition, pigment dispersion, and toner CANON KABUSHIKI KAISHA (JP) 2014-08-26 US disclosed
US-20130122413-A1 AZO COMPOUND, PIGMENT DISPERSANT CONTAINING THE AZO COMPOUND, PIGMENT COMPOSITION, PIGMENT DISPERSION, AND TONER CANON KABUSHIKI KAISHA (JP) 2013-05-16 US disclosed
US-20130122413-A1 AZO COMPOUND, PIGMENT DISPERSANT CONTAINING THE AZO COMPOUND, PIGMENT COMPOSITION, PIGMENT DISPERSION, AND TONER CANON KABUSHIKI KAISHA (JP) 2013-05-16 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-20130122413-A1 AZO COMPOUND, PIGMENT DISPERSANT CONTAINING THE AZO COMPOUND, PIGMENT COMPOSITION, PIGMENT DISPERSION, AND TONER TYR, CRY1, MITF ALDH1A1 1826/4885TSHR 2792/4885MAPK1 1759/4885

“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.