SCHEMBL13656406

SCHEMBL13656406

CCCOCCCCn1nc(-c2ccc(Cl)cn2)ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL13656326 0.92 MEN1 (0.41) MEN1KMT2AKDM4ETSHRGAA
SCHEMBL13656542 0.91 TSHR (0.43) MEN1KMT2AKDM4ETSHRGAA
SCHEMBL13656507 0.90 MEN1 (0.42) MEN1KMT2AKDM4ETSHRGAA
SCHEMBL13656470 0.90 MEN1 (0.42) MEN1KMT2AKDM4ETSHRGAA
SCHEMBL13656286 0.88 MEN1 (0.43) MEN1KMT2AKDM4ETSHRGAA
SCHEMBL13656325 0.87 MEN1 (0.44) MEN1KMT2ATSHRHSD17B10POLB
SCHEMBL13656283 0.84 TSHR (0.43) MEN1KMT2AKDM4ETSHRGAA
SCHEMBL13649479 0.84 TSHR (0.36) MEN1KMT2AKDM4ETSHRGAA
SCHEMBL13656540 0.81 KDM4E (0.36) MEN1KMT2AKDM4ETSHRGAA
SCHEMBL13649488 0.80 TSHR (0.36) MEN1KMT2AKDM4ETSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253708-A1 2-ALKYNYL-6-PYRIDIN-2-YL-PYRIDAZINONES, 2-ALKYNYL-6-PYRIDIN-2-YL-DIHYDROPYRIDAZINONES, 2-ALKYNYL-6-PYRIMIDIN-2-YL-PYRIDAZINONES AND 2-ALKYNYL-6-PYRIMIDIN-2-YL-DIHYDROPYRIDAZINONES AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2009-10-08 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 (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-20090253708-A1 2-ALKYNYL-6-PYRIDIN-2-YL-PYRIDAZINONES, 2-ALKYNYL-6-PYRIDIN-2-YL-DIHYDROPYRIDAZINONES, 2-ALKYNYL-6-PYRIMIDIN-2-YL-PYRIDAZINONES AND 2-ALKYNYL-6-PYRIMIDIN-2-YL-DIHYDROPYRIDAZINONES AND THEIR USE AS FUNGICIDES PDXK, DPM1, PNPO MEN1 2822/4885KMT2A 1598/4885KDM4E 560/4885

“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.