SCHEMBL18401332

SCHEMBL18401332

N=C(N)NCc1ccc(I)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CYP3A4 P08684 2/20 0.39
IDO1 P14902 2/20 0.39
TPSAB1 Q15661 4/20 0.38
ST14 Q9Y5Y6 1/20 0.37
PRSS1 P07477 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
NOS1 P29475 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
SCHEMBL3672272 0.89 CYP2C9 (0.48) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL4103299 0.81 ABAT (0.44) CYP2C9CYP2C19CA1CA2IDO1
SCHEMBL6881708 0.81 EPHX2 (0.45) CYP2C9CYP2C19CYP3A4TPSAB1ST14
SCHEMBL6881703 0.81 CYP2C9 (0.42) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL14686209 0.81 TPSAB1 (0.59) CYP2C9CYP2C19TPSAB1ST14PRSS1
SCHEMBL18401315 0.80 ST14 (0.49) CA12CA1CA2CYP3A4IDO1
SCHEMBL11981491 0.79 IDO1 (0.52) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL4100287 0.79 IDO1 (0.52) IDO1MEN1POLBGAAMAPT
SCHEMBL4018773 0.79 CYP2C9 (0.66) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL22466338 0.79 CYP2C9 (0.66) CYP2C9CYP2C19CA12CA1CA2

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-20200397927-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2020-12-24 US disclosed
EP-3567029-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS Lantheus Medical Imaging, Inc. (US) 2019-11-13 EP disclosed
EP-2753605-B1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING INC (US) 2019-03-27 EP disclosed
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

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 CYP2C9 3416/4885CYP2C19 2911/4885CA12 138/4885
US-20200397927-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 CYP2C9 3416/4885CYP2C19 2911/4885CA12 138/4885

“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.