SCHEMBL3027768

SCHEMBL3027768

O=C(O)Cc1c([N+](=O)[O-])ccc2c1O[C@@H](CO)CO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38
HTT P42858 1/20 0.36
HPGD P15428 2/20 0.36
PKM P14618 3/20 0.35
CYP1A2 P05177 2/20 0.35
LMNA P02545 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
PRKAB2 O43741 2/20 0.33
PRKAG1 P54619 2/20 0.33
PRKAA2 P54646 2/20 0.33
PRKAA1 Q13131 2/20 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
SCHEMBL3029367 1.00 MAPT (0.39) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13222372 0.91 MAPT (0.44) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13222375 0.90 MAPT (0.41) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL15031118 0.89 MAPT (0.40) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8116646 0.89 TXNRD1 (0.40) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8125480 0.86 TXNRD1 (0.39) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10305220 0.86 TXNRD1 (0.39) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL15031119 0.86 MAPT (0.38) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3039471 0.83 TXNRD1 (0.36) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4523570 0.83 TXNRD1 (0.36) MAPTNPC1RAB9AALDH1A1SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466296-B2 Compounds and processes for preparing substituted aminomethyl-2,3,8,9-tetrahydro-7H-1,4-dioxino[2,3-e]indol-8-ones LIGAND PHARMACEUTICALS (US) 2013-06-18 US disclosed
US-8466296-B2 Compounds and processes for preparing substituted aminomethyl-2,3,8,9-tetrahydro-7H-1,4-dioxino[2,3-e]indol-8-ones LIGAND PHARMACEUTICALS (US) 2013-06-18 US disclosed
US-8466296-B2 Compounds and processes for preparing substituted aminomethyl-2,3,8,9-tetrahydro-7H-1,4-dioxino[2,3-e]indol-8-ones LIGAND PHARMACEUTICALS (US) 2013-06-18 US disclosed
US-20100217012-A1 COMPOUNDS AND PROCESSES FOR PREPARING SUBSTITUTED AMINOMETHYL-2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO[2,3-e]INDOL-8-ONES NEUROGEN CORPORATION (US) 2010-08-26 US disclosed
US-20100217012-A1 COMPOUNDS AND PROCESSES FOR PREPARING SUBSTITUTED AMINOMETHYL-2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO[2,3-e]INDOL-8-ONES NEUROGEN CORPORATION (US) 2010-08-26 US disclosed
US-20100217012-A1 COMPOUNDS AND PROCESSES FOR PREPARING SUBSTITUTED AMINOMETHYL-2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO[2,3-e]INDOL-8-ONES NEUROGEN CORPORATION (US) 2010-08-26 US disclosed
WO-2008118935-A1 COMPOUNDS AND PROCESSES FOR PREPARING SUBSTITUTED AMINOMETHYL-2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO[2,3-E]INDOL-8-ONES NEUROGEN CORPORATION (US) 2008-10-02 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 (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-20100217012-A1 COMPOUNDS AND PROCESSES FOR PREPARING SUBSTITUTED AMINOMETHYL-2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO[2,3-e]INDOL-8-ONES MTNR1A, HTR3C, MTNR1B MAPT 3390/4885NPC1 4295/4885RAB9A 371/4885

“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.