SCHEMBL2616364

SCHEMBL2616364

Cc1nc2n(c(=O)c1C)CCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 6/20 0.49
POLB P06746 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
APEX1 P27695 1/20 0.49
RECQL P46063 1/20 0.49
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 3/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 1/20 0.47
BCHE P06276 1/20 0.47
CFTR P13569 1/20 0.47
ALOX15 P16050 1/20 0.47
ACHE P22303 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
GOPC Q9HD26 1/20 0.47
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.43

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
SCHEMBL14278538 0.79 ATM (0.46) SMN1; SMN2ALDH1A1POLBTDP1L3MBTL1
Hydrochloric Acid SCHEMBL11086720 0.78 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1POLBTDP1L3MBTL1
SCHEMBL13377027 0.78 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1POLBTDP1L3MBTL1
SCHEMBL21287457 0.77 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1POLBTDP1L3MBTL1
SCHEMBL12414740 0.74 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1POLBTDP1L3MBTL1
SCHEMBL6493190 0.74 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1POLBACHEMAPT
SCHEMBL13360488 0.74 POLB (0.48) SMN1; SMN2ALDH1A1POLBHSD17B10ALOX15
SCHEMBL11193250 0.73 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1POLBKDM4EHSD17B10
SCHEMBL13377049 0.73 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1POLBTDP1L3MBTL1
SCHEMBL10239182 0.72 POLB (0.52) SMN1; SMN2ALDH1A1POLBHSD17B10ALOX15

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-20120101153-A1 ROCAGLAOL DERIVATIVES AS CARDIOPROTECTANT AGENTS AND AS ANTINEOPLASTIC AGENTS UNIVERSITE DE STRASBOURG (FR) 2012-04-26 US disclosed
US-20120101153-A1 ROCAGLAOL DERIVATIVES AS CARDIOPROTECTANT AGENTS AND AS ANTINEOPLASTIC AGENTS UNIVERSITE DE STRASBOURG (FR) 2012-04-26 US disclosed
WO-2010060891-A1 ROCAGLAOL DERIVATIVES AS CARDIOPROTECTANT AGENTS AND AS ANTINEOPLASTIC AGENTS UNIVERSITE DE STRASBOURG (FR) 2010-06-03 WO disclosed
EP-2189453-A1 Rocaglaol derivatives as cardioprotectant agents Université Louis Pasteur (FR) 2010-05-26 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-20120101153-A1 ROCAGLAOL DERIVATIVES AS CARDIOPROTECTANT AGENTS AND AS ANTINEOPLASTIC AGENTS BAX, BAD, CASP3 SMN1; SMN2 2156/4885ALDH1A1 468/4885POLB 4701/4885

“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.