SCHEMBL2881868

SCHEMBL2881868

CCN(CC)c1ncnc2ccc(C=O)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
HTT P42858 3/20 0.62
ALDH1A3 P47895 4/20 0.48
ALDH3A1 P30838 4/20 0.45
CLK4 Q9HAZ1 4/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALOX15 P16050 1/20 0.39
LMNA P02545 5/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL2880252 0.83 CYP1A2 (0.55) ALDH1A1HTTCLK4LMNACYP1A2
SCHEMBL14595784 0.78 HTT (0.69) ALDH1A1HTTCLK4CLK1CLK2
SCHEMBL5507819 0.78 ALDH1A3 (0.53) ALDH1A1HTTALDH1A3ALDH3A1SMN1; SMN2
SCHEMBL30169049 0.77 HTT (0.68) ALDH1A1HTTCLK4CLK1CLK2
SCHEMBL14300929 0.77 HTT (1.00) ALDH1A1HTTCLK4CLK1CLK2
SCHEMBL2882190 0.77 PIK3CD (0.56) ALDH1A1HTTCLK1CLK2DYRK1A
SCHEMBL2882188 0.77 PIK3CD (0.56) ALDH1A1HTTCLK1CLK2DYRK1A
Hydrochloric Acid SCHEMBL8374732 0.76 HTT (0.66) ALDH1A1HTTCLK4CLK1CLK2
SCHEMBL27683160 0.75 HTT (0.50) ALDH1A1HTTCLK4CLK1CLK2
SCHEMBL3861852 0.75 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2CYP1A2CYP3A4MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
CN-1681811-B Azolidinone-vinyl fused-benzene derivatives APPLIED RESEARCH SYSTEMS 2010-05-26 CN disclosed
US-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-12-10 US disclosed
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2006-06-08 US disclosed
CN-1681811-A Azolidinone-vinyl fused-benzene derivatives APPLIED RESEARCH SYSTEMS (AN) 2005-10-12 CN disclosed
US-20050222225-A1 Use of compounds for increasing spermatozoa motility APPLIED RESEARCH SYSTEMS ARS HOLDING NV (NL) 2005-10-06 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 (3 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-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES ZAP70, BRCA1, ZYX ALDH1A1 716/4885HTT 1649/4885ALDH1A3 2555/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 ALDH1A1 1935/4885HTT 3887/4885ALDH1A3 1561/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B ALDH1A1 678/4885HTT 1583/4885ALDH1A3 2589/4885

“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.