SCHEMBL2502153

SCHEMBL2502153

C1=[N+]OCc2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
TSHR P16473 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
PARP1 P09874 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL135836 0.65
SCHEMBL525358 0.65
SCHEMBL519377 0.63 MAOB (0.39) MAOBTSHRPARP1
SCHEMBL14836901 0.62 MAOB (0.31) MAOAMAOB
SCHEMBL846505 0.62 PARP1 (0.39) MAOAMAOBTSHRCA1CA2
SCHEMBL29355434 0.62 PARP1 (0.39) MAOAMAOBTSHRCA1CA2
SCHEMBL15902739 0.62 PARP1 (0.39) MAOAMAOBTSHRCA1CA2
SCHEMBL133548 0.62 TSHR (0.36) MAOAMAOBTSHRCA1CA2
SCHEMBL6789771 0.62 PARP1 (0.39) MAOAMAOBTSHRCA1CA2
SCHEMBL130616 0.60 MAOA (0.35) MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245156-A1 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2011-10-06 US claimed
WO-2010077740-A2 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2010-07-08 WO claimed
US-20110245156-A1 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2011-10-06 US disclosed
WO-2010077740-A2 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2010-07-08 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-20110245156-A1 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE DDX5, SAMHD1, EIF2AK2 MAOA 1637/4885MAOB 812/4885TSHR 4854/4885

“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.