SCHEMBL13660545

SCHEMBL13660545

CCNC(=O)CNC(=O)CN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.41
FAAH O00519 1/20 0.40
TERT O14746 1/20 0.39
MMP2 P08253 2/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
GAA P10253 1/20 0.31
RECQL P46063 1/20 0.31
MEN1 O00255 1/20 0.31
CTSD P07339 1/20 0.31
PSMB5 P28074 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL19985684 1.00 MCL1 (0.41) MCL1FAAHTERTMMP2MMP1
SCHEMBL17874650 1.00 MCL1 (0.41) MCL1FAAHTERTMMP2MMP1
SCHEMBL1536829 0.90
Hydrochloric Acid SCHEMBL3649029 0.87
Ammonia Solution, Strong SCHEMBL27540199 0.87
Water SCHEMBL27489158 0.87
SCHEMBL19057292 0.82 TDP1 (0.38) TERTKMT2ACA1CA2MEN1
SCHEMBL19446214 0.82 MCL1 (0.45) MCL1TERTMMP2MMP1MMP3
SCHEMBL22420468 0.82 MCL1 (0.45) MCL1TERTMMP2MMP1MMP3
SCHEMBL24261804 0.81 TERT (0.39) TERTMMP2CA1CA2GAA

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
WO-2017082753-A1 GLYCOLIPID COMPOUNDS AND THEIR USES IN THE TREATMENT OF TUMOURS AGALIMMUNE LIMITED (GB) 2017-05-18 WO disclosed
US-9221879-B2 Multiligand constructs SEMIOTIK LLC (RU) 2015-12-29 US disclosed
US-20140135477-A1 MULTILIGAND CONSTRUCTS SEMIOTIK LLC (RU) 2014-05-15 US disclosed
US-20090264300-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2009-10-22 US disclosed
US-7226578-B2 Metal complexes that contain perfluoroalkyl, process for their production and their use in NMR diagnosis SHERING AG (DE) 2007-06-05 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-20090264300-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES RNGTT, DUT, EMG1 MCL1 4151/4885FAAH 2027/4885TERT 753/4885
US-20140135477-A1 MULTILIGAND CONSTRUCTS KLK3, CD2BP2, PAICS MCL1 42/4885FAAH 3689/4885TERT 2362/4885

“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.