SCHEMBL871709

SCHEMBL871709

CN(Cc1ccccc1)C(=O)c1cccc(-n2c(=O)n([C@H]3CC[C@@H](N(C(=O)O)C(C)(C)C)CC3)c(=O)c3cc(F)cnc32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
F10 P00742 1/20 0.35
HCRTR1 O43613 1/20 0.35
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
KDM1A O60341 1/20 0.34
PLAT P00750 1/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL871710 1.00 ATM (0.42) ATMKMT2AMEN1ALDH1A1KDM4E
SCHEMBL10222006 0.89 ATM (0.45) ATMKMT2AMEN1ALDH1A1KDM4E
SCHEMBL870868 0.89 ATM (0.45) ATMKMT2AMEN1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL870319 0.88 ATM (0.44) ATMKMT2AMEN1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL870318 0.88 ATM (0.44) ATMKMT2AMEN1ALDH1A1KDM4E
SCHEMBL3023161 0.87 ATM (0.43) ATMKMT2AMEN1ALDH1A1KDM4E
SCHEMBL3011812 0.87 ATM (0.43) ATMKMT2AMEN1ALDH1A1KDM4E
SCHEMBL871465 0.86 TNF (0.34) ALDH1A1HPGDPOLBNPSR1MAPK1
SCHEMBL871464 0.86 TNF (0.34) ALDH1A1HPGDPOLBNPSR1MAPK1
SCHEMBL10271891 0.86 ATM (0.40) ATMKMT2AMEN1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 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-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B ATM 2403/4885KMT2A 3697/4885MEN1 2567/4885

“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.