SCHEMBL883002

SCHEMBL883002

C=C(CCO/N=C(\C)c1cccc(C)n1)c1cccc(C(C)=O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.39
HSP90AA1 P07900 1/20 0.36
HKDC1 Q2TB90 1/20 0.35
CYP1A2 P05177 1/20 0.35
GRM5 P41594 1/20 0.35
DUSP3 P51452 1/20 0.34
PTPN11 Q06124 1/20 0.34
PPARA Q07869 5/20 0.32
PPARG P37231 4/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CTSA P10619 1/20 0.30
MEN1 O00255 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL883004 0.89 HSP90AA1 (0.37) P2RX7HSP90AA1HKDC1CYP1A2GRM5
SCHEMBL874223 0.83 HSP90AA1 (0.33) P2RX7HSP90AA1HKDC1DUSP3PTPN11
SCHEMBL882995 0.80 P2RX7 (0.40) P2RX7HSP90AA1HKDC1CYP1A2GRM5
SCHEMBL16163766 0.79 HKDC1 (0.33) HSP90AA1HKDC1DUSP3PTPN11
SCHEMBL10272880 0.79 HKDC1 (0.33) HSP90AA1HKDC1DUSP3PTPN11
SCHEMBL875035 0.79 DUSP3 (0.32) HSP90AA1HKDC1DUSP3PTPN11
SCHEMBL3592540 0.76 HSP90AA1 (0.44) P2RX7HSP90AA1HKDC1CYP1A2GRM5
SCHEMBL3582704 0.76 P2RX7 (0.49) P2RX7HSP90AA1HKDC1CYP1A2GRM5
SCHEMBL3582708 0.76 P2RX7 (0.49) P2RX7HSP90AA1HKDC1CYP1A2GRM5
SCHEMBL3582700 0.76 P2RX7 (0.49) P2RX7HSP90AA1HKDC1CYP1A2GRM5

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
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 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-20140309244-A1 NOVEL MICROBIOCIDES MSR1, C3AR1, CD209 P2RX7 630/4885HSP90AA1 2350/4885HKDC1 2262/4885

“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.