SCHEMBL862385

SCHEMBL862385

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CA3 P07451 2/20 0.36
CA5A P35218 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
EPHX1 P07099 1/20 0.35
CNR1 P21554 1/20 0.34
S1PR2 O95136 1/20 0.34
MTNR1A P48039 4/20 0.34
MTNR1B P49286 4/20 0.34
TP53 P04637 1/20 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

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
SCHEMBL862549 0.88 POLB (0.36) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL862382 0.79 KDM4E (0.38) MEN1KMT2A
SCHEMBL862163 0.77 GSK3B (0.35) POLBALDH1A1KMT2AS1PR2TP53
SCHEMBL842259 0.77 MTNR1A (0.38) MTNR1AMTNR1B
SCHEMBL19662208 0.75 BRD4 (0.47) POLBCNR1S1PR2
SCHEMBL26162798 0.70 S1PR2 (0.40) POLBALDH1A1SMN1; SMN2CA5AS1PR2
SCHEMBL14653301 0.69 ATM (0.42) ALDH1A1SMN1; SMN2S1PR2TP53
SCHEMBL21381446 0.69 MALT1 (0.38) SMN1; SMN2MEN1KMT2AMTNR1AMTNR1B
SCHEMBL862162 0.65 CYP1A2 (0.50) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL12161257 0.65 NOS2 (0.43) ALDH1A1S1PR2

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.