SCHEMBL13158643

SCHEMBL13158643

CC(NCC[76Br])C(O)c1ccc(O)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 8/20 0.51
▸ KDM4E B2RXH2 8/20 0.51
▸ MAPT P10636 7/20 0.51
▸ RECQL P46063 5/20 0.51
▸ LMNA P02545 5/20 0.51
▸ HIF1A Q16665 5/20 0.51
▸ MTOR P42345 4/20 0.51
▸ TSHR P16473 4/20 0.51
▸ HSD17B10 Q99714 4/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ NFKB1 P19838 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ BLM P54132 2/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ THPO P40225 1/20 0.51
▸ APEX1 P27695 1/20 0.51
▸ ADRB2 P07550 7/20 0.50
▸ ADRB1 P08588 5/20 0.50
▸ ADRB3 P13945 4/20 0.50
▸ MAPK1 P28482 4/20 0.50

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
SCHEMBL19361289 0.86 ADRB2 (0.55) TDP1KDM4EMAPTRECQLLMNA
SCHEMBL10305082 0.84 TDP1 (0.51) TDP1KDM4EMAPTRECQLLMNA
Dioxethedrin SCHEMBL249560 0.82 ADRB2 (0.58) TDP1KDM4EMAPTRECQLLMNA
Dioxethedrin SCHEMBL365011 0.81 KDM4E (0.57) TDP1KDM4EMAPTRECQLLMNA
SCHEMBL11807913 0.80 ADRB1 (0.61) LMNAHIF1ATSHRNFKB1BLM
SCHEMBL9973165 0.76 MAPT (0.46) TDP1KDM4EMAPTRECQLLMNA
SCHEMBL668000 0.76 KDM4E (0.61) TDP1KDM4EMAPTRECQLLMNA
Dioxifedrine SCHEMBL250137 0.76 TDP1 (0.61) TDP1KDM4EMAPTRECQLLMNA
SCHEMBL11810223 0.76 ADRB2 (0.59) LMNAHIF1AALOX15ADRB2ADRB1
Dioxifedrine SCHEMBL364347 0.75 KDM4E (0.62) TDP1KDM4EMAPTRECQLLMNA

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 2 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-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 TDP1 3526/4885KDM4E 538/4885MAPT 1201/4885

“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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