SCHEMBL2118323

SCHEMBL2118323

[CH2]c1ccc(OC)c(OC)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
ADRA2A P08913 2/20 0.40
ADRA2C P18825 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
ACHE P22303 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
ADRA2B P18089 1/20 0.38
RAD52 P43351 1/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.36
CYP19A1 P11511 2/20 0.36
NQO2 P16083 2/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL3168281 0.86 ACHE (0.41) KDM4EALDH1A1ACHESMN1; SMN2MAPT
SCHEMBL7534903 0.82 MEN1 (0.41) KDM4EALDH1A1ACHEMAPTHPGD
SCHEMBL324648 0.81 CYP1A1 (0.40) KDM4EALDH1A1ACHESMN1; SMN2MAPT
SCHEMBL9669244 0.80 ALDH1A1 (0.47) KDM4EALDH1A1ADRA2AADRA2CADRA1D
SCHEMBL11230766 0.79 MAPT (0.38) KDM4EALDH1A1ACHESMN1; SMN2LMNA
SCHEMBL31027936 0.76 ALDH1A1 (0.44) KDM4EALDH1A1ADRA2AADRA2CADRA1D
SCHEMBL4404407 0.76 ALDH1A1 (0.44) KDM4EALDH1A1ADRA2AADRA2CADRA1D
SCHEMBL28084463 0.76 CA2 (0.40) KDM4EALDH1A1SMN1; SMN2MAPTTDP1
SCHEMBL7528395 0.76 AMY1A (0.39) KDM4EALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL3033905 0.76 MAPT (0.38) KDM4EALDH1A1ACHELMNAMAPK1

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-8802895-B2 Amide derivatives of benzene-sulfonanilide, pharmaceutical composition thereof and method for cancer treatment using the same CLEVELAND STATE UNIVERSITY (US) 2014-08-12 US disclosed
EP-2629767-A1 AMIDE DERIVATIVES OF BENZENE-SULFONANILIDE, PHARMACEUTICAL COMPOSITION THEREOF AND METHOD FOR CANCER TREATMENT USING THE SAME Cleveland State University (US) 2013-08-28 EP disclosed
WO-2012054417-A1 AMIDE DERIVATIVES OF BENZENE-SULFONANILIDE, PHARMACEUTICAL COMPOSITION THEREOF AND METHOD FOR CANCER TREATMENT USING THE SAME CLEVELAND STATE UNIVERSITY (US) 2012-04-26 WO disclosed
US-20120095092-A1 AMIDE DERIVATIVES OF BENZENE-SULFONANILIDE, PHARMACEUTICAL COMPOSITION THEREOF AND METHOD FOR CANCER TREATMENT USING THE SAME CLEVELAND STATE UNIVERSITY 2012-04-19 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-20120095092-A1 AMIDE DERIVATIVES OF BENZENE-SULFONANILIDE, PHARMACEUTICAL COMPOSITION THEREOF AND METHOD FOR CANCER TREATMENT USING THE SAME RB1, BCR, NRAS KDM4E 350/4885ALDH1A1 639/4885ADRA2A 1276/4885

“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.