SCHEMBL3366792

SCHEMBL3366792

C=C(CCN1CCSCC1)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
ARG1 P05089 1/20 0.37
ARG2 P78540 1/20 0.37
MAPT P10636 2/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
GLA P06280 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 1/20 0.31
CA2 P00918 1/20 0.30

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
SCHEMBL3362202 0.89 ARG1 (0.38) L3MBTL1ARG1ARG2SMN1; SMN2
SCHEMBL31093131 0.84 GAA (0.34) L3MBTL1ARG1ARG2MAPTPOLB
SCHEMBL6454219 0.82 L3MBTL1 (0.61) L3MBTL1MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL6913115 0.81 L3MBTL1 (0.64) L3MBTL1MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL31093032 0.80 KDM1A (0.33) ARG1ARG2MAPTPOLBALDH1A1
SCHEMBL2911096 0.80 L3MBTL1 (0.63) L3MBTL1ARG1ARG2MAPTPOLB
SCHEMBL886919 0.78 GLA (0.56) MAPTALDH1A1SMN1; SMN2GLAKDM4E
SCHEMBL2793942 0.78 L3MBTL1 (0.41) L3MBTL1MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL31093000 0.78
SCHEMBL29973401 0.75 L3MBTL1 (0.50) L3MBTL1ARG1ARG2MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100092479-A1 Compositions and methods for treatment of viral diseases COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-04-15 US disclosed
WO-2010021681-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-02-25 WO disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 WO 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A L3MBTL1 1046/4885ARG1 3672/4885ARG2 3814/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 L3MBTL1 812/4885ARG1 2817/4885ARG2 2048/4885
US-20100092479-A1 Compositions and methods for treatment of viral diseases HAVCR2, RNASE1, EIF2AK2 L3MBTL1 987/4885ARG1 1999/4885ARG2 1794/4885

“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.