SCHEMBL986982

SCHEMBL986982

COc1ccc(NCc2c(Cl)cncc2Cl)cc1OCC[S]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43
UTS2R Q9UKP6 1/20 0.41
DHFR P00374 4/20 0.40
GPX4 P36969 3/20 0.40
APAF1 O14727 1/20 0.39
IDH1 O75874 1/20 0.38
CYP2B6 P20813 1/20 0.38
MAPKAPK2 P49137 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
SCHEMBL986720 0.89 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL986983 0.88 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL1009756 0.87 PDE4D (0.53) PDE4DMAPTALDH1A1MEN1KMT2A
SCHEMBL8006958 0.81 PDE4D (0.50) PDE4DPDE4APDE4BPDE4CIDH1
SCHEMBL984917 0.76 PDE4D (0.57) PDE4DPDE4APDE4BPDE4C
SCHEMBL987384 0.72 PDE4B (0.80) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL3117592 0.67 MAPT (0.58) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL2227760 0.67 ALDH1A1 (0.56) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL8211561 0.66 TAAR1 (0.51)
SCHEMBL1157410 0.65 C5AR1 (0.46) PDE4DPDE4APDE4BPDE4CMAPT

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 5 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
US-8445451-B2 Macrolides and uses of macrolides BASILEA PHARMACEUTICA AG (CH) 2013-05-21 US disclosed
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2011-01-27 US disclosed
EP-2247294-A2 MACROLIDES FOR TREATING DISEASES MEDIATED THROUGH PDE INHIBITION Basilea Pharmaceutica AG (CH) 2010-11-10 EP disclosed
WO-2009098320-A2 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-08-13 WO 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-20110021449-A1 MACROLIDES AND USES OF MACROLIDES MRPS22, MRPS23, MRPL12 PDE4D 2679/4885PDE4A 1873/4885PDE4B 2412/4885

“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.