SCHEMBL2961616

SCHEMBL2961616

CN1CCN(c2ccc(C=O)cc2)C(=O)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.50
TRIM24 O15164 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
CYP2A6 P11509 3/20 0.36
MAOB P27338 1/20 0.35
KCNJ1 P48048 1/20 0.35
RECQL P46063 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
MAPK1 P28482 1/20 0.34
TYR P14679 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP2A13 Q16696 1/20 0.33

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
SCHEMBL13201392 0.80 DRD2 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL13201447 0.76 MGLL (0.44) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL17538303 0.75 ALDH1A1 (0.57) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL2963698 0.75 CHKA (0.44) MEN1KMT2ATYRNPC1RAB9A
SCHEMBL1663168 0.71 TRIM24 (0.44) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL28699851 0.71 ALDH1A1 (0.62) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL3555541 0.70 DRD2 (0.48) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL627511 0.68 ALDH1A1 (0.59) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL13060961 0.68 TRIM24 (0.48) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL14473209 0.68 ALDH1A1 (0.45) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2

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
EP-1445249-B1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2012-11-07 EP disclosed
US-7772285-B2 Benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2010-08-10 US disclosed
US-20050113400-A1 Inhibitors of transcription factor AP-1; autoimmune diseases; rheumatoid arthritis; high safety and excellent pharmacokinetics in vivo SHUNICHI SHIOZAWA (JP) 2005-05-26 US disclosed
EP-1445249-A1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-08-11 EP 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-20050113400-A1 Inhibitors of transcription factor AP-1; autoimmune diseases; rheumatoid arthritis; high safety and excellent pharmacokinetics in vivo SP1, AP1G1, JUN ALDH1A1 1493/4885TRIM24 245/4885TRIM33 1958/4885

“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.