SCHEMBL862549

SCHEMBL862549

Cc1cc(CBr)nc(C(=O)NCCNC(=O)C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA3 P07451 2/20 0.36
CA5A P35218 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
EPHX1 P07099 1/20 0.34
MTNR1A P48039 4/20 0.33
MTNR1B P49286 4/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32

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
SCHEMBL862385 0.88 POLB (0.37) POLBALDH1A1SMN1; SMN2CA3CA5A
SCHEMBL862382 0.78 KDM4E (0.38) MEN1KMT2A
SCHEMBL842312 0.77 MTNR1A (0.37) MTNR1AMTNR1B
SCHEMBL862163 0.76 GSK3B (0.35) POLBALDH1A1KMT2A
SCHEMBL21381449 0.70 MALT1 (0.38) ALDH1A1SMN1; SMN2MTNR1AMTNR1BCA12
SCHEMBL862383 0.66 CYP1A2 (0.49) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL17830131 0.64 NOS2 (0.43) NOS3NOS1NOS2
SCHEMBL19976563 0.64 METTL3 (0.36) MEN1KMT2ACA12CA2CA4
SCHEMBL13861685 0.64 ALDH1A1 (0.79) POLBALDH1A1SMN1; SMN2CA3CA5A
SCHEMBL17689338 0.63 HDAC3 (0.38) ALDH1A1SMN1; SMN2MEN1KMT2A

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-8143057-B2 Chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2012-03-27 US disclosed
US-8071626-B2 Chromophoric moiety comprises trialkoxyphenylpyridyl groups; biochemical conjugation; for solid phase synthesis of oligonucleotides and oligopeptides; magnetic resonance imaging; positron emission tomography WALLAC OY (FI) 2011-12-06 US disclosed
US-20100036102-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2010-02-11 US disclosed
US-7625930-B2 Chelating agents and highly luminescent and stable chelates and their use WALLOC OY (FI) 2009-12-01 US disclosed
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2008-07-10 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-20100036102-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE CLTA, CLTC, FOLH1 POLB 380/4885ALDH1A1 4649/4885SMN1; SMN2 3423/4885
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 POLB 380/4885ALDH1A1 4649/4885SMN1; SMN2 3423/4885

“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.