SCHEMBL10692633

SCHEMBL10692633

O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)cc1I

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.64
BCHE P06276 3/20 0.59
TYMP P19971 1/20 0.58
TYMS P04818 4/20 0.55
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL10692639 1.00 TK1 (0.64) TK1BCHETYMPTYMSCYP1A2
SCHEMBL5702260 1.00 TK1 (0.64) TK1BCHETYMPTYMSCYP1A2
SCHEMBL6294757 0.93 TYMS (0.56) TK1BCHETYMPTYMS
SCHEMBL6294759 0.93 TYMS (0.56) TK1BCHETYMPTYMS
SCHEMBL15235291 0.93 TYMS (0.56) TK1BCHETYMPTYMS
SCHEMBL17123679 0.93 TYMS (0.56) TK1BCHETYMPTYMS
SCHEMBL7541144 0.93 TYMS (0.56) TK1BCHETYMPTYMS
SCHEMBL13255800 0.93 TYMS (0.56) TK1BCHETYMPTYMS
SCHEMBL21133906 0.93 TYMS (0.56) TK1BCHETYMPTYMS
SCHEMBL3599668 0.93 TYMS (0.56) TK1BCHETYMPTYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10874752-B2 MIBG analogs and uses thereof BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2020-12-29 US disclosed
US-20180256761-A1 MIBG ANALOGS AND USES THEREOF BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2018-09-13 US disclosed
EP-3352746-A1 MIBG ANALOGS AND USES THEREOF Board of Regents of the University of Nebraska (US) 2018-08-01 EP disclosed
WO-2017053834-A1 MIBG ANALOGS AND USES THEREOF BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2017-03-30 WO disclosed
EP-0252989-A1 2'-DEOXY-5-TRIFLUOROMETHYLURIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1988-01-20 EP 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 (2 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-10874752-B2 MIBG analogs and uses thereof SLC6A2, SLC18A2, SLC18A3 TK1 212/4885BCHE 1060/4885TYMP 325/4885
US-20180256761-A1 MIBG ANALOGS AND USES THEREOF SLC6A2, SLC18A2, SLC18A3 TK1 212/4885BCHE 1060/4885TYMP 325/4885

“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.