SCHEMBL12794865

SCHEMBL12794865

CCOC(=O)c1cnc(Cl)c(N)c1NCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
MAPT P10636 4/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 2/20 0.40
THRB P10828 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE5A O76074 1/20 0.39
PDE4B Q07343 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL986685 0.94 PDE5A (0.42) KDM4EMAPTTP53MEN1KMT2A
SCHEMBL985654 0.84 KDM4E (0.42) KDM4EMAPTTP53MEN1KMT2A
SCHEMBL4062151 0.81 HSP90AA1 (0.48) KDM4EMAPTTP53MEN1KMT2A
SCHEMBL982972 0.79 PDE5A (0.39) KDM4EMAPTTP53MEN1KMT2A
SCHEMBL4766455 0.77 HSP90AA1 (0.46) KDM4EMAPTTP53MEN1KMT2A
SCHEMBL24789637 0.70 MAPT (0.36) KDM4EMAPTGAAALDH1A1
SCHEMBL12794869 0.70 KMT2A (0.35) KDM4EMAPTMEN1KMT2APKM
SCHEMBL1756999 0.69 PDK1 (0.50) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL30065042 0.69 NPC1 (0.50) KDM4EMAPTTP53MEN1KMT2A
SCHEMBL22208087 0.69 NPC1 (0.50) KDM4EMAPTTP53MEN1KMT2A

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-8410065-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2013-04-02 US disclosed
US-20110053876-A1 MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2011-03-03 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-20110053876-A1 MACROLIDES AND THEIR USE PDE4A, PDE12, PDE4B KDM4E 401/4885MAPT 3470/4885TP53 3638/4885

“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.