SCHEMBL3904985

SCHEMBL3904985

COC(=O)c1sccc1NC(=O)c1ccc(N2CCCC2)cc1OC1CCN(OC(C)(C)C)C(=C=O)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PLK1 P53350 7/20 0.39
LMNA P02545 3/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
GLA P06280 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.36
MAPK10 P53779 1/20 0.36
MEN1 O00255 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
SCHEMBL3898794 0.83 ALDH1A1 (0.46) MAPTALDH1A1HPGDSMN1; SMN2PLK1
SCHEMBL3915405 0.79 PIM1 (0.37) ALDH1A1SMN1; SMN2LMNAKDM4EKMT2A
SCHEMBL3903288 0.78 GPR6 (0.41) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL3907747 0.77 GPR6 (0.34) MAPT
SCHEMBL3907641 0.76 TOP2A (0.45) MAPT
SCHEMBL3912796 0.75 GPR6 (0.38) MAPTALDH1A1HPGDKDM4E
SCHEMBL3554378 0.75 MEN1 (0.37) ALDH1A1HPGDKDM4EGLAHSD17B10
SCHEMBL3905636 0.73 GPR6 (0.41) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL3158995 0.72 F10 (0.47)
SCHEMBL3903514 0.71 BCL9 (0.40) MAPTALDH1A1HPGDSMN1; SMN2PLK1

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-7511066-B2 Antithrombotic aromatic ethers ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-20070027185-A1 Antithrombotic aromatic ethers ELILILLY AND COMPANY (US) 2007-02-01 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-20070027185-A1 Antithrombotic aromatic ethers F2, F11, TFPI MAPT 3960/4885ALDH1A1 458/4885HPGD 598/4885

“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.