SCHEMBL18397667

SCHEMBL18397667

CC(=O)CC(=S)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 5/20 0.49
HTT P42858 2/20 0.48
MGLL Q99685 4/20 0.47
FAAH O00519 2/20 0.47
PHGDH O43175 1/20 0.47
ALDH2 P05091 1/20 0.47
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
TSHR P16473 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA9 Q16790 3/20 0.43
CA2 P00918 2/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL2836850 0.80 KDM4E (0.48) SMN1; SMN2ALDH1A1HTTMGLLFAAH
SCHEMBL2418238 0.79 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1HTTTSHRALOX15
SCHEMBL11543554 0.78 PAOX (0.51) SMN1; SMN2ALDH1A1HTTMGLLFAAH
SCHEMBL31466071 0.78 KMT2A (0.54) SMN1; SMN2ALDH1A1TSHRHPGDHSD17B10
SCHEMBL7163196 0.77 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1HTTMGLLFAAH
SCHEMBL14126574 0.76 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1HTTTSHRCA12
SCHEMBL3608245 0.74 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1HTTTSHRHPGD
SCHEMBL10288150 0.74 MGLL (0.60) SMN1; SMN2ALDH1A1MGLLFAAHPHGDH
SCHEMBL11228005 0.74 MGLL (0.54) SMN1; SMN2ALDH1A1HTTMGLLFAAH
SCHEMBL294991 0.71 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1HTTTSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3325486-B1 POLYNITROGEN COMPOUNDS AND USES THEREOF AS FLUORESCENT CHROMOPHORES UNIV ORLEANS (FR) 2023-05-24 EP disclosed
EP-3325486-B1 POLYNITROGEN COMPOUNDS AND USES THEREOF AS FLUORESCENT CHROMOPHORES UNIV ORLEANS (FR) 2023-05-24 EP disclosed
US-10954436-B2 Polynitrogen compounds and uses thereof as fluorescent chromophores UNIVERSITE D'ORLEANS (FR) 2021-03-23 US disclosed
US-10954436-B2 Polynitrogen compounds and uses thereof as fluorescent chromophores UNIVERSITE D'ORLEANS (FR) 2021-03-23 US disclosed
US-20180194997-A1 POLYNITROGEN COMPOUNDS AND USES THEREOF AS FLUORESCENT CHROMOPHORES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-07-12 US disclosed
US-20180194997-A1 POLYNITROGEN COMPOUNDS AND USES THEREOF AS FLUORESCENT CHROMOPHORES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-07-12 US disclosed
EP-3325486-A1 POLYNITROGEN COMPOUNDS AND USES THEREOF AS FLUORESCENT CHROMOPHORES Universite D'Orleans (FR) 2018-05-30 EP disclosed
WO-2017013135-A1 POLYNITROGEN COMPOUNDS AND USES THEREOF AS FLUORESCENT CHROMOPHORES UNIVERSITE D'ORLEANS (FR) 2017-01-26 WO disclosed
WO-2017013135-A1 POLYNITROGEN COMPOUNDS AND USES THEREOF AS FLUORESCENT CHROMOPHORES UNIVERSITE D'ORLEANS (FR) 2017-01-26 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 (2 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-20180194997-A1 POLYNITROGEN COMPOUNDS AND USES THEREOF AS FLUORESCENT CHROMOPHORES PNN, NCL, NUCB2 SMN1; SMN2 1749/4885ALDH1A1 1917/4885HTT 2565/4885
US-10954436-B2 Polynitrogen compounds and uses thereof as fluorescent chromophores PNN, NCL, NUCB2 SMN1; SMN2 1749/4885ALDH1A1 1917/4885HTT 2565/4885

“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.