SCHEMBL982972

SCHEMBL982972

CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1NCCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.39
PDE4B Q07343 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
ATM Q13315 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.38
PKM P14618 1/20 0.38
THRB P10828 1/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 2/20 0.36
RAD52 P43351 2/20 0.36
UHRF1 Q96T88 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL985654 0.94 KDM4E (0.42) PDE5APDE4BKDM4EMAPTATM
SCHEMBL986685 0.85 PDE5A (0.42) PDE5APDE4BKDM4EMAPTATM
SCHEMBL4067929 0.83 MEN1 (0.42) PDE5APDE4BKDM4EMAPTTP53
SCHEMBL4246885 0.81 ALDH1A1 (0.45) PDE5APDE4BKDM4EMAPTTP53
SCHEMBL12794865 0.79 KDM4E (0.44) PDE5APDE4BKDM4EMAPTATM
SCHEMBL4766494 0.78 ALDH1A1 (0.46) KDM4EMAPTTP53KMT2AMEN1
SCHEMBL4073798 0.75 ALDH1A1 (0.43) PDE4BKDM4EMAPTKMT2AMEN1
SCHEMBL17042260 0.75 NPSR1 (0.55) PDE4BKDM4EMAPTTP53KMT2A
SCHEMBL21878183 0.74 CA1 (0.39) PDE5AMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL574989 0.73 ALDH1A1 (0.49) KDM4EMAPTKMT2AMEN1GAA

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 6 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-8173609-B2 Macrolides useful against inflammatory and allergic diseases BASILEA PHARMACEUTICA AG (CH) 2012-05-08 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 (2 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-20100120706-A1 Macrolides Useful Against Inflammatory and Allergic Diseases HRH4, HRH2, IL4 PDE5A 4135/4885PDE4B 2041/4885KDM4E 3427/4885
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES MRPS22, MRPS23, MRPL12 PDE5A 3491/4885PDE4B 2412/4885KDM4E 4433/4885

“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.