SCHEMBL4988893

SCHEMBL4988893

CCOC(=O)C(NC(=O)c1ccc(N)cn1)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAOA P21397 1/20 0.40
CTSA P10619 1/20 0.39
CHRM2 P08172 1/20 0.39
GRM5 P41594 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
PPID Q08752 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ELANE P08246 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GABRP O00591 1/20 0.36

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
SCHEMBL4988583 0.86 KDM4E (0.46) CTSACHRM2GRM5SIGMAR1NPC1
SCHEMBL4985530 0.84 MAOB (0.48) LMNACYP1A2NPC1RAB9ASMN1; SMN2
SCHEMBL4991276 0.83 NPC1 (0.42) CTSACHRM2GRM5SIGMAR1NPC1
SCHEMBL4985283 0.82 MAPT (0.49)
SCHEMBL11634018 0.81 L3MBTL1 (0.54) PPIDELANE
SCHEMBL11634015 0.81 L3MBTL1 (0.54) PPIDELANE
SCHEMBL14186826 0.81 CHRM2 (0.55) CHRM2GRM5SIGMAR1NPC1RAB9A
SCHEMBL4988913 0.79 CHRM2 (0.39) CTSACHRM2GRM5SIGMAR1GABRA1
SCHEMBL4990228 0.78 MAPT (0.48) LMNACYP1A2CYP3A4NPC1RAB9A
SCHEMBL754777 0.77 CYP1A2 (0.56) LMNACYP1A2CYP3A4MAOANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R LMNA 4633/4885CYP1A2 89/4885CYP3A4 565/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 LMNA 3156/4885CYP1A2 292/4885CYP3A4 618/4885

“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.