SCHEMBL17849896

SCHEMBL17849896

CC1=C(C)NC(=O)CN(CC(C)C)C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.51
TOP2B Q02880 3/20 0.51
PTGS1 P23219 2/20 0.51
LMNA P02545 1/20 0.51
PIK3CD O00329 4/20 0.40
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CRBN Q96SW2 1/20 0.32
COMT P21964 1/20 0.31
CYP2D6 P10635 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL17849877 0.72 CRBN (0.44) TOP2ATOP2BPTGS1LMNAALDH1A1
SCHEMBL12111086 0.71 TOP2A (0.51) TOP2ATOP2BPTGS1LMNAPIK3CD
SCHEMBL12108576 0.70 PTGS1 (0.46) TOP2ATOP2BPTGS1LMNAPIK3CD
SCHEMBL27775549 0.69 PIK3CD (0.48) TOP2ATOP2BPTGS1LMNAPIK3CD
Dexrazoxane SCHEMBL18400 0.68 TOP2A (1.00) TOP2ATOP2BPTGS1LMNAPIK3CD
Razoxane SCHEMBL3339694 0.68 TOP2A (1.00) TOP2ATOP2BPTGS1LMNAPIK3CD
Dexrazoxane SCHEMBL1586271 0.68 TOP2A (1.00) TOP2ATOP2BPTGS1LMNAPIK3CD
Razoxane SCHEMBL9089 0.68 TOP2A (1.00) TOP2ATOP2BPTGS1LMNAPIK3CD
SCHEMBL839300 0.67 TOP2A (0.46) TOP2ATOP2BPTGS1LMNAPIK3CD
SCHEMBL9967746 0.67 PIK3CD (0.55) TOP2ATOP2BPTGS1LMNAPIK3CD

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-20170107179-A1 Polycyclic Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2017-04-20 US disclosed
US-9371283-B2 Polycyclic tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2016-06-21 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-20170107179-A1 Polycyclic Tetracycline Compounds TET1, TUBA1C, TUBB TOP2A 122/4885TOP2B 99/4885PTGS1 958/4885

“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.