SCHEMBL3578342

SCHEMBL3578342

CCOC(=O)c1ccc(F)c(OC)c1N1CC[C@@H](C2(NC(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP8B1 Q9UNU6 1/20 0.32
BTK Q06187 1/20 0.32
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32
TP53 P04637 2/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
POLB P06746 1/20 0.32
OPRK1 P41145 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 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
SCHEMBL3590136 0.86 CYP3A4 (0.35) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3577931 0.78 KCNH2 (0.33) ALDH1A1DRD2DRD3POLBKDM4E
SCHEMBL3575973 0.77 CYP3A4 (0.42) SMN1; SMN2DRD2
SCHEMBL17494299 0.76 KCNH2 (0.58)
SCHEMBL13368166 0.74 STAT3 (0.38) MEN1KMT2AMAPTALDH1A1BTK
SCHEMBL4510781 0.71 DRD2 (0.43) DRD2DRD3OPRK1
SCHEMBL14014256 0.71 STAT3 (0.42) ALDH1A1BTKPOLBKDM4EHPGD
SCHEMBL13341768 0.71 STAT3 (0.42) ALDH1A1BTKPOLBKDM4EHPGD
SCHEMBL4501494 0.70 ACACB (0.41) MAPTALDH1A1DRD2DRD3
SCHEMBL19194882 0.69 KCNH2 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069435-A1 METHOD OF SELECTIVELY INTRODUCING AMINO SUBSTITUENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-03-18 US disclosed
US-7626029-B2 Into a difluorobenzoic acid, for producting quinolonecarboxylic acid serving as synthetic antibacterial agent, medicament, agricultural chemical, or veterinary drug; ionic liquid solvents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-12-01 US disclosed
US-20060122396-A1 Method of selectively introducing amino substituent DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-06-08 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-20060122396-A1 Method of selectively introducing amino substituent ASNS, NQO2, DDC MEN1 4072/4885KMT2A 1571/4885MAPT 4808/4885
US-20100069435-A1 METHOD OF SELECTIVELY INTRODUCING AMINO SUBSTITUENT ASNS, DDC, NQO2 MEN1 3971/4885KMT2A 1549/4885MAPT 4775/4885

“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.