SCHEMBL17849858

SCHEMBL17849858

CC1=C(C)NC(=O)[C@@H]2CCCCN2C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
PARP1 P09874 2/20 0.33
CRBN Q96SW2 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
APEX1 P27695 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 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
SCHEMBL17849875 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EPARP1CRBNMEN1
SCHEMBL18766568 0.95 ALDH1A1 (0.47) ALDH1A1KDM4EPARP1CRBNMEN1
SCHEMBL17849862 0.95 ALDH1A1 (0.47) ALDH1A1KDM4EPARP1CRBNMEN1
SCHEMBL17849874 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EPARP1CRBNMEN1
SCHEMBL12108606 0.73 KDM4E (0.39) ALDH1A1KDM4EPARP1CRBNMEN1
SCHEMBL12108631 0.73 KDM4E (0.39) ALDH1A1KDM4EPARP1CRBNMEN1
SCHEMBL5579426 0.73 ALDH1A1 (0.53) ALDH1A1KDM4ECRBNMEN1KMT2A
SCHEMBL27123348 0.73 ALDH1A1 (0.53) ALDH1A1KDM4ECRBNMEN1KMT2A
SCHEMBL12110918 0.72 KDM4E (0.38) ALDH1A1KDM4EPARP1CRBNMEN1
SCHEMBL12110798 0.72 KDM4E (0.38) ALDH1A1KDM4EPARP1CRBNMEN1

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 ALDH1A1 3821/4885KDM4E 2649/4885PARP1 2553/4885

“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.