SCHEMBL985654

SCHEMBL985654

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
THRB P10828 1/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 4/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE5A O76074 1/20 0.37
PDE4B Q07343 1/20 0.37
ATM Q13315 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL982972 0.94 PDE5A (0.39) KDM4EMAPTTP53MEN1KMT2A
SCHEMBL4067929 0.85 MEN1 (0.42) KDM4EMAPTTP53MEN1KMT2A
SCHEMBL12794865 0.84 KDM4E (0.44) KDM4EMAPTTP53MEN1KMT2A
SCHEMBL4246885 0.82 ALDH1A1 (0.45) KDM4EMAPTTP53MEN1KMT2A
SCHEMBL4766494 0.79 ALDH1A1 (0.46) KDM4EMAPTTP53MEN1KMT2A
SCHEMBL986685 0.78 PDE5A (0.42) KDM4EMAPTTP53MEN1KMT2A
SCHEMBL4073798 0.76 ALDH1A1 (0.43) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL17042260 0.76 NPSR1 (0.55) KDM4EMAPTTP53MEN1KMT2A
SCHEMBL30846439 0.74 ALDH1A1 (0.49) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL574989 0.74 ALDH1A1 (0.49) KDM4EMAPTMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247294-B1 MACROLIDES FOR TREATING DISEASES MEDIATED THROUGH PDE INHIBITION BASILEA PHARMACEUTICA AG (CH) 2014-03-26 EP disclosed
EP-2049556-B1 NEW MACROLIDES USEFUL AGAINST INFLAMMATORY AND ALLERGIC DISEASES BASILEA PHARMACEUTICA AG (CH) 2013-07-03 EP disclosed
US-8445451-B2 Macrolides and uses of macrolides BASILEA PHARMACEUTICA AG (CH) 2013-05-21 US disclosed
US-8410065-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2013-04-02 US disclosed
US-8173609-B2 Macrolides useful against inflammatory and allergic diseases BASILEA PHARMACEUTICA AG (CH) 2012-05-08 US disclosed
US-20110053876-A1 MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2011-03-03 US disclosed
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2011-01-27 US disclosed
US-20100120706-A1 Macrolides Useful Against Inflammatory and Allergic Diseases BASILEA PHARMACEUTICA AG (CH) 2010-05-13 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 (3 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
US-20100120706-A1 Macrolides Useful Against Inflammatory and Allergic Diseases HRH4, HRH2, IL4 KDM4E 3427/4885MAPT 4860/4885TP53 4713/4885
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES MRPS22, MRPS23, MRPL12 KDM4E 4433/4885MAPT 4802/4885TP53 1641/4885

“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.