SCHEMBL13656291

SCHEMBL13656291

CCCn1nc(-c2cccc(Cl)n2)ccc1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL13649482 0.81 MEN1 (0.35) ALDH1A1MEN1KMT2APOLBTDP1
SCHEMBL13656329 0.81 ALDH1A1 (0.41) PTGS2ALDH1A1LMNACYP1A2CYP2C19
SCHEMBL13656409 0.79 ALDH1A1 (0.40) PTGS2ALDH1A1LMNACYP1A2CYP2C19
SCHEMBL13656469 0.77 PTGS2 (0.47) PTGS2ALDH1A1LMNACYP1A2HSD17B10
SCHEMBL10044415 0.76 PTGS2 (0.48) PTGS2ALDH1A1LMNACYP1A2CYP2C19
SCHEMBL13656283 0.75 TSHR (0.43) PTGS2ALDH1A1LMNACYP1A2CYP2C19
SCHEMBL13656327 0.75 ALDH1A1 (0.41) PTGS2ALDH1A1LMNACYP1A2CYP2C19
SCHEMBL13656289 0.72 MEN1 (0.41) PTGS2ALDH1A1LMNACYP1A2CYP2C19
SCHEMBL7035765 0.70 GABRA1 (0.51) CYP1A2HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL11232521 0.70 MAPT (0.50) PTGS2ALDH1A1CYP1A2HSD17B10MEN1

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 PTGS2 2916/4885ALDH1A1 712/4885LMNA 2473/4885

“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.