SCHEMBL2349047

SCHEMBL2349047

Cc1ccc2c(c1)CC(c1ccccc1)N2N=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 1/20 0.42
AADAT Q8N5Z0 1/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
PDE5A O76074 1/20 0.38
TRPM5 Q9NZQ8 1/20 0.37
DRD2 P14416 7/20 0.37
DRD4 P21917 5/20 0.37
MAOB P27338 3/20 0.37
ALDH2 P05091 1/20 0.36

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
SCHEMBL2352184 0.85 AADAT (0.41) AADATSLC6A2SLC6A4SLC6A3PDE5A
SCHEMBL20370883 0.80 SLC6A2 (0.46) AADATSLC6A2SLC6A4SLC6A3TRPM5
SCHEMBL6414596 0.76 CYP19A1 (0.49) ALDH1A1KMT2AMAOBALDH2
SCHEMBL28898627 0.73 SLC6A2 (0.37) AADATSLC6A2SLC6A4SLC6A3TRPM5
SCHEMBL8554586 0.71 TSHR (0.40) DRD2DRD4
SCHEMBL13890281 0.68 HCAR2 (0.39) ALDH1A1KMT2APDE5A
SCHEMBL2363072 0.65 MAOB (0.52) ALDH1A1KMT2AMAOBALDH2
SCHEMBL16403905 0.64 AADAT (0.42) ALDH1A1AADATSLC6A2SLC6A4SLC6A3
SCHEMBL6414797 0.64 LMNA (0.53) ALDH1A1KMT2A
SCHEMBL29618970 0.63 NOTUM (0.53) ALDH1A1KMT2A

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-9193728-B2 Fused tetracyclic pyrido [4,3-B] indole and pyrido [3,4-B] indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-24 US disclosed
US-9193728-B2 Fused tetracyclic pyrido [4,3-B] indole and pyrido [3,4-B] indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-24 US disclosed
US-9193728-B2 Fused tetracyclic pyrido [4,3-B] indole and pyrido [3,4-B] indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-24 US disclosed
US-20130210803-A1 FUSED TETRACYCLIC PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-08-15 US disclosed
US-20130210803-A1 FUSED TETRACYCLIC PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-08-15 US disclosed
US-20130210803-A1 FUSED TETRACYCLIC PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-08-15 US disclosed
WO-2011103460-A1 FUSED TETRACYCLIC PYRIDO[4,3-B]INDOLE AND PYRIDO[3,4-B]ONDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-08-25 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-20130210803-A1 FUSED TETRACYCLIC PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR4, HTR3B, HTR2C ALDH1A1 2351/4885KMT2A 2128/4885AADAT 105/4885

“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.