SCHEMBL2981968

SCHEMBL2981968

CCOC(=O)c1c(S(C)(=O)=O)c(N=O)c2ccccn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 5/20 0.49
HPGD P15428 4/20 0.49
GAA P10253 3/20 0.49
GLA P06280 1/20 0.49
HTT P42858 3/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPK1 P28482 3/20 0.47
CYP1A2 P05177 4/20 0.45
CYP3A4 P08684 3/20 0.45
IDO1 P14902 2/20 0.45
HBB P68871 1/20 0.45
HIF1A Q16665 1/20 0.45
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 4/20 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
SCHEMBL2973729 0.84 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL4225555 0.82 HTT (0.40) ALDH1A1KDM4EHPGDGAAHTT
SCHEMBL13221207 0.81 MAPK1 (0.50) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL2970846 0.79 MAPK1 (0.48) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL2972073 0.79 MAPK1 (0.48) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL8325573 0.70 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL8227587 0.70 MAPK1 (0.70) ALDH1A1KDM4EGAAHSD17B10MAPK1
SCHEMBL2982074 0.70 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHTTHSD17B10
SCHEMBL13221209 0.69 MAPK1 (0.51) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL344481 0.69 KDM4E (0.53) ALDH1A1KDM4EHPGDGAAGLA

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-7776107-B2 Aminoindolizines, dyeing composition comprising at least one aminoindolizine, methods and uses thereof L'OREAL S.A. (FR) 2010-08-17 US disclosed
US-7776107-B2 Aminoindolizines, dyeing composition comprising at least one aminoindolizine, methods and uses thereof L'OREAL S.A. (FR) 2010-08-17 US disclosed
US-20090235467-A1 NEW AMINOINDOLIZINES, DYEING COMPOSITION COMPRISING AT LEAST ONE AMINOINDOLIZINE, METHODS AND USES THEREOF L'OREAL S.A. (FR) 2009-09-24 US disclosed
US-20090235467-A1 NEW AMINOINDOLIZINES, DYEING COMPOSITION COMPRISING AT LEAST ONE AMINOINDOLIZINE, METHODS AND USES THEREOF L'OREAL S.A. (FR) 2009-09-24 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-20090235467-A1 NEW AMINOINDOLIZINES, DYEING COMPOSITION COMPRISING AT LEAST ONE AMINOINDOLIZINE, METHODS AND USES THEREOF KRT18, AADAT, ALAD ALDH1A1 723/4885KDM4E 977/4885HPGD 928/4885

“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.