SCHEMBL4562308

SCHEMBL4562308

CC(=NOCCCc1ccc2ccc3ccc(Cl)nc3c2n1)c1cccc(C)n1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.34
PDE10A Q9Y233 1/20 0.33
KCNH2 Q12809 1/20 0.32
P2RX7 Q99572 1/20 0.31
HKDC1 Q2TB90 1/20 0.31

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
SCHEMBL5020234 1.00 HSP90AA1 (0.34) HSP90AA1PDE10AKCNH2P2RX7HKDC1
SCHEMBL4562242 0.91 HSP90AA1 (0.36) HSP90AA1PDE10AP2RX7HKDC1
SCHEMBL5020227 0.91 HSP90AA1 (0.36) HSP90AA1PDE10AP2RX7HKDC1
SCHEMBL15470610 0.87 HSP90AA1 (0.34) HSP90AA1PDE10AP2RX7HKDC1
SCHEMBL15470609 0.86 PDE10A (0.47) HSP90AA1PDE10A
SCHEMBL10273698 0.82 HSP90AA1 (0.38) HSP90AA1KCNH2P2RX7HKDC1
SCHEMBL5020366 0.80 CCR1 (0.41) HSP90AA1KCNH2P2RX7HKDC1
SCHEMBL882894 0.79 HSP90AA1 (0.38) HSP90AA1KCNH2P2RX7HKDC1
SCHEMBL882865 0.79 HSP90AA1 (0.38) HSP90AA1KCNH2P2RX7HKDC1
SCHEMBL882995 0.78 P2RX7 (0.40) HSP90AA1KCNH2P2RX7HKDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140045873-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 US disclosed
EP-2638011-A1 NOVEL MICROBIOCIDES Syngenta Participations AG (CH) 2013-09-18 EP disclosed
WO-2012062844-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-18 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-20140045873-A1 NOVEL MICROBIOCIDES MSR1, CD209, C3AR1 HSP90AA1 1228/4885PDE10A 3394/4885KCNH2 2388/4885

“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.