SCHEMBL5359909

SCHEMBL5359909

CCCOc1cc(C)c(N)c(N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
KDM4E B2RXH2 3/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL5028320 0.90 ALDH1A1 (0.42) MAPTKDM4EHTTALDH1A1MEN1
SCHEMBL7516991 0.83 TSHR (0.42) ALDH1A1TP53POLBGAALMNA
SCHEMBL7225914 0.80 TSHR (0.44) KDM4EALDH1A1TP53GAACA12
SCHEMBL6460166 0.78 TSHR (0.51) MAPTALDH1A1TP53GAALMNA
SCHEMBL12925858 0.77 GPR84 (0.44) MAPTMEN1TP53POLBKMT2A
SCHEMBL4227827 0.77 MAPT (0.57) MAPTKDM4EHTTALDH1A1MEN1
SCHEMBL10187313 0.77 MAPT (0.53) MAPTKDM4EHTTALDH1A1MEN1
SCHEMBL19480454 0.77 TSHR (0.54) MAPTTP53GAALMNAHSD17B10
SCHEMBL7220329 0.77 TSHR (0.54) MAPTTP53GAALMNAHSD17B10
SCHEMBL6497458 0.76 BRD4 (0.50) MAPTMEN1KMT2ALTA4HMCL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7301036-B2 Cyclic guanidines, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2007-11-27 US disclosed
US-20070105930-A1 Cyclic guanidines, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2007-05-10 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 (1 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-20070105930-A1 Cyclic guanidines, compositions containing such compounds and methods of use GCGR, GLP1R, GCG MAPT 4636/4885KDM4E 3442/4885HTT 2652/4885

“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.