SCHEMBL1815956

SCHEMBL1815956

O=[N+]([O-])c1cccc(Cc2ncco2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
RAB9A P51151 1/20 0.48
CYP19A1 P11511 1/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
EGFR P00533 1/20 0.43
IGF1R P08069 1/20 0.43
F2 P00734 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PDE4D Q08499 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL15658983 0.82 POLB (0.56) TSHRLMNAKMT2AMEN1RAB9A
SCHEMBL10918542 0.78 TSHR (0.71) TSHRLMNAKMT2AMEN1CYP19A1
SCHEMBL1818443 0.75 TSHR (0.48) TSHRLMNAKMT2AMEN1CYP19A1
SCHEMBL1015742 0.75 TSHR (0.54) TSHRLMNAKMT2AMEN1RAB9A
SCHEMBL20773319 0.74 PNMT (0.43) LMNAMAOBF2
SCHEMBL20773636 0.74 IDO1 (0.40) LMNARAB9AMAOAMAOBCYP1A2
SCHEMBL5964339 0.74 POLB (0.67) TSHRLMNAKMT2AMEN1CYP19A1
SCHEMBL20773637 0.74 KDM5B (0.44) TSHRLMNAKMT2AMEN1RAB9A
SCHEMBL1817849 0.74 MAOB (0.42) CYP19A1MAOAMAOBEGFRIGF1R
SCHEMBL23637665 0.74 CXCR3 (0.56) TSHRLMNAKMT2ARAB9ACYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461134-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20110172187-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
WO-2011060196-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 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-20110172187-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD TSHR 2757/4885LMNA 3490/4885KMT2A 1841/4885

“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.