SCHEMBL1720402

SCHEMBL1720402

CC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
CA4 P22748 1/20 0.56
MEN1 O00255 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
POLB P06746 2/20 0.55
ATM Q13315 1/20 0.55
TDP1 Q9NUW8 2/20 0.52
CA12 O43570 1/20 0.52
LMNA P02545 1/20 0.51
MAPT P10636 3/20 0.51
ACHE P22303 1/20 0.50
APEX1 P27695 1/20 0.49

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
SCHEMBL4235928 0.88 ALDH1A1 (0.60) ALDH1A1L3MBTL1CA1CA2CA9
SCHEMBL11306933 0.83 CA1 (0.60) ALDH1A1L3MBTL1CA1CA2CA9
SCHEMBL8091427 0.83 CA1 (0.60) ALDH1A1L3MBTL1CA1CA2CA9
SCHEMBL11314968 0.83 CA1 (0.63) ALDH1A1L3MBTL1CA1CA2CA9
SCHEMBL4235297 0.83 POLB (0.60) ALDH1A1L3MBTL1CA1CA2CA9
SCHEMBL4231020 0.82 POLB (0.64) ALDH1A1L3MBTL1CA1CA2CA9
SCHEMBL11307275 0.82 POLB (0.64) ALDH1A1L3MBTL1CA1CA2CA9
SCHEMBL8090181 0.81 CA1 (0.58) ALDH1A1L3MBTL1CA1CA2CA9
SCHEMBL4231031 0.81 POLB (0.66) ALDH1A1L3MBTL1CA1CA2CA9
SCHEMBL4375792 0.80 CA1 (0.59) ALDH1A1CA1CA2CA9CA4

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
EP-2406261-B1 10-AMINO-1,2,3,4-TETRAHYDROPYRIDO[2,1-A]ISOINDOL-6(10BH)-ONE DERIVATIVES, METHOD FOR PREPARING SAME, AND THERAPEUTIC USES THEREOF CENTRE NAT RECH SCIENT (FR) 2013-01-09 EP disclosed
US-20120095022-A1 DERIVATIVES OF 10-AMINO-1,2,3,4-TETRAHYDROPYRIDO[2,1-A]ISOINDOL-6(10BH)-ONES, METHOD FOR PREPARATION THEREOF AND THERAPEUTIC USES THEREOF UNIVERSITE D'ORLEANS (FR) 2012-04-19 US disclosed
US-20120095022-A1 DERIVATIVES OF 10-AMINO-1,2,3,4-TETRAHYDROPYRIDO[2,1-A]ISOINDOL-6(10BH)-ONES, METHOD FOR PREPARATION THEREOF AND THERAPEUTIC USES THEREOF UNIVERSITE D'ORLEANS (FR) 2012-04-19 US disclosed
EP-2406261-A1 10-AMINO-1,2,3,4-TETRAHYDROPYRIDO[2,1-A]ISOINDOL-6(10BH)-ONE DERIVATIVES, METHOD FOR PREPARING SAME, AND THERAPEUTIC USES THEREOF Centre National de la Recherche Scientifique (C.N.R.S.) (FR) 2012-01-18 EP disclosed
WO-2010103240-A1 10-AMINO-1,2,3,4-TETRAHYDROPYRIDO[2,1-A]ISOINDOL-6(10BH)-ONE DERIVATIVES, METHOD FOR PREPARING SAME, AND THERAPEUTIC USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2010-09-16 WO disclosed
WO-2010103240-A1 10-AMINO-1,2,3,4-TETRAHYDROPYRIDO[2,1-A]ISOINDOL-6(10BH)-ONE DERIVATIVES, METHOD FOR PREPARING SAME, AND THERAPEUTIC USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2010-09-16 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-20120095022-A1 DERIVATIVES OF 10-AMINO-1,2,3,4-TETRAHYDROPYRIDO[2,1-A]ISOINDOL-6(10BH)-ONES, METHOD FOR PREPARATION THEREOF AND THERAPEUTIC USES THEREOF HRH2, HRH1, SULT2A1 ALDH1A1 400/4885L3MBTL1 4119/4885CA1 1512/4885

“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.