SCHEMBL799119

SCHEMBL799119

CNC(=O)c1cc(C(C)C)cc(N(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39
TUBB2B Q9BVA1 1/20 0.39
TUBB1 Q9H4B7 1/20 0.39

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
SCHEMBL1004004 0.84 HDAC8 (0.43) KDM4EHDAC6HDAC8HDAC2ALDH1A1
SCHEMBL25011450 0.79 ALDH1A1 (0.36) KMT2AKDM4EL3MBTL1HDAC6HDAC8
SCHEMBL12030869 0.77 TAS1R3 (0.40) KDM4EGAAHDAC6HDAC8HDAC2
SCHEMBL20346989 0.77 CA12 (0.39) KDM4EGAAHDAC6HDAC8HDAC2
SCHEMBL12026617 0.76 CES2 (0.42) KDM4EHDAC6HDAC8HDAC2ALDH1A1
SCHEMBL18999636 0.73 TSHR (0.39) KMT2ALMNAKDM4EL3MBTL1TP53
SCHEMBL24807366 0.72 KIF11 (0.45) KMT2AHSP90AA1HDAC6HDAC8HDAC2
SCHEMBL7495727 0.70 POLB (0.69) KMT2ALMNAKDM4EL3MBTL1POLB
SCHEMBL276759 0.70 HDAC8 (0.59) KMT2ALMNAKDM4EGAAHDAC6
SCHEMBL24809157 0.70 RXRA (0.55) KDM4EHDAC6HDAC8HDAC2TP53

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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 KMT2A 2921/4885LMNA 4258/4885KDM4E 2191/4885

“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.