SCHEMBL2176540

SCHEMBL2176540

CCCC[Sn](CCCC)(CCCC)c1ccc(OC)c(OCOC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.36
PDE4B Q07343 4/20 0.34
PDE4A P27815 3/20 0.34
PDE4D Q08499 3/20 0.34
PDE4C Q08493 2/20 0.34
MAPK1 P28482 3/20 0.33
LMNA P02545 2/20 0.33
TNF P01375 1/20 0.33
MAPT P10636 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
KMT2A Q03164 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HTT P42858 1/20 0.33
HDAC3 O15379 1/20 0.33

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
SCHEMBL2307379 0.88 CA2 (0.41) MAPK1LMNAKDM4EMEN1KMT2A
SCHEMBL246540 0.88 CA2 (0.41) MAPK1LMNAKDM4EMEN1KMT2A
SCHEMBL2422330 0.76 LTA4H (0.37) CYP3A4
SCHEMBL2721490 0.73 PTGS2 (0.47) MAPTKDM4ECYP3A4
SCHEMBL14586637 0.70 ATM (0.51) KDM4ECYP1A2CYP3A4SIGMAR1
SCHEMBL14718463 0.70 ALOX5 (0.32) TNFPDE3BPDE3A
SCHEMBL30132013 0.70 ALDH1A1 (0.34) MAPK1LMNAMAPTKDM4EMEN1
SCHEMBL15103292 0.69 CYP1A2 (0.43) PDE4BPDE4APDE4DPDE4CKDM4E
SCHEMBL194561 0.69 PSEN1 (0.49) CYP1A2CYP3A4
SCHEMBL1983658 0.69 TSHR (0.32) LMNAMAPTMEN1CYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 EP disclosed
EP-2342191-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE Mitsubishi Tanabe Pharma Corporation (JP) 2011-07-13 EP disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 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-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B SMPD1 124/4885PDE4B 13/4885PDE4A 8/4885

“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.