SCHEMBL13158663

SCHEMBL13158663

CC(C(O)c1ccc(F)c(O)c1)[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 1/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ ADRB3 P13945 1/20 0.45
▸ ADRA2B P18089 1/20 0.45
▸ ADRA2C P18825 1/20 0.45
▸ KDM4E B2RXH2 7/20 0.40
▸ TDP1 Q9NUW8 6/20 0.40
▸ RECQL P46063 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ LMNA P02545 4/20 0.40
▸ BLM P54132 3/20 0.40
▸ HIF1A Q16665 3/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ NFKB1 P19838 2/20 0.40
▸ THPO P40225 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ MTOR P42345 1/20 0.40

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
SCHEMBL15450382 0.84 AKR1C3 (0.37) MAPTTSHRHSD17B10EPAS1MAPK1
SCHEMBL3123515 0.81 ACHE (0.40) LMNABLMTSHRKMT2ACYP1A2
SCHEMBL16216092 0.79 ADRB1 (0.61) ADRB1ADRA2AADRB3ADRA2BADRA2C
SCHEMBL16216243 0.79 ADRB1 (0.61) ADRB1ADRA2AADRB3ADRA2BADRA2C
SCHEMBL19360100 0.75 KDM4E (0.70) ADRB1ADRA2AADRB3ADRA2BADRA2C
SCHEMBL27339647 0.75 ADRB2 (0.41) MAPTALOX15TSHRAPEX1ADRB2
SCHEMBL11798974 0.74 TYR (0.42) KDM4ETDP1MAPTLMNAHIF1A
SCHEMBL29478063 0.74 ADRB1 (0.57) ADRB1ADRA2AADRB3ADRA2BADRA2C
SCHEMBL30352856 0.74 ADRB1 (0.57) ADRB1ADRA2AADRB3ADRA2BADRA2C
SCHEMBL28327147 0.74 ADRB1 (0.57) ADRB1ADRA2AADRB3ADRA2BADRA2C

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-8491868-B2 Ligands for imaging cardiac innervation LANTHEUS MEDICAL IMAGING, INC. (US) 2013-07-23 — — US disclosed
US-8491868-B2 Ligands for imaging cardiac innervation LANTHEUS MEDICAL IMAGING, INC. (US) 2013-07-23 — — US disclosed
US-20100221182-A1 LIGANDS FOR IMAGING CARDIAC INNERVATION CITIZENS BANK, N.A. 2010-09-02 — — US disclosed
US-20100221182-A1 LIGANDS FOR IMAGING CARDIAC INNERVATION CITIZENS BANK, N.A. 2010-09-02 — — US 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-20100221182-A1 LIGANDS FOR IMAGING CARDIAC INNERVATION TNNT2, PNMT, TNNC1 ADRB1 7/4885ADRA2A 20/4885ADRB3 6/4885

“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.

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