SCHEMBL16216331

SCHEMBL16216331

N=C(N)NCc1ccc(CC[18F])cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 2/20 0.42
TPSAB1 Q15661 5/20 0.40
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 2/20 0.38
NPC1 O15118 1/20 0.38
CYP3A4 P08684 1/20 0.38
NOS1 P29475 1/20 0.38
RAB9A P51151 1/20 0.38
HIF1A Q16665 1/20 0.38
BLM P54132 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
F10 P00742 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
F2 P00734 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
F7 P08709 1/20 0.35

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
SCHEMBL14764132 1.00 ST14 (0.42) ST14TPSAB1CYP2C9CYP2C19CYP2D6
Formic Acid SCHEMBL29958755 0.92 ST14 (0.40) ST14TPSAB1CYP2C9CYP2C19CYP2D6
SCHEMBL10305434 0.89 ST14 (0.40) ST14TPSAB1CYP2C9CYP2C19CYP2D6
Trifluoroacetic Acid SCHEMBL28211908 0.87 TMPRSS6 (0.47) ST14TPSAB1F2ITGB3ITGA2B
SCHEMBL3672272 0.85 CYP2C9 (0.48) ST14TPSAB1CYP2C9CYP2C19NOS1
SCHEMBL27986301 0.85 ST14 (0.49) ST14CYP2D6NPC1CYP3A4NOS1
SCHEMBL16219089 0.84 ST14 (0.38) ST14TPSAB1CYP2C9CYP2C19CYP2D6
SCHEMBL27357156 0.82 CA2 (0.45) ST14TPSAB1CYP2C9CYP2C19CYP2D6
SCHEMBL14686209 0.82 TPSAB1 (0.59) ST14TPSAB1CYP2C9CYP2C19CYP2D6
SCHEMBL20852531 0.81 NOS1 (0.48) ST14CYP2C9CYP2C19CYP2D6NPC1

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-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2017-09-21 US disclosed
US-9550000-B2 Compositions, methods, and systems for the synthesis and use of imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2017-01-24 US disclosed
US-20140328756-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2014-11-06 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 (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-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 ST14 4023/4885TPSAB1 3187/4885CYP2C9 3416/4885
US-20140328756-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 ST14 4023/4885TPSAB1 3187/4885CYP2C9 3416/4885

“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.