SCHEMBL9972333

SCHEMBL9972333

OOOC(O)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.40
TDO2 P48775 3/20 0.40
TSHR P16473 3/20 0.39
MAPK1 P28482 2/20 0.39
HIF1A Q16665 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 3/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
ADRB2 P07550 1/20 0.38
AOC3 Q16853 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2A6 P11509 1/20 0.36
BRD4 O60885 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
CYP19A1 P11511 1/20 0.35
ALOX15 P16050 1/20 0.35
APEX1 P27695 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
SCHEMBL12858755 0.76 LMNA (0.41) TSHRMAPK1HIF1ALMNA
SCHEMBL6205149 0.74 ADRB2 (0.44) IDO1TDO2TSHRMAPK1HIF1A
SCHEMBL3199543 0.71 TSHR (0.42) IDO1TDO2TSHRMAPK1HIF1A
SCHEMBL9972324 0.71 TP53 (0.46) IDO1TDO2TSHRTDP1LMNA
SCHEMBL970779 0.70 BRD4 (0.38) IDO1TDO2TSHRMAPK1HIF1A
SCHEMBL3688149 0.69 TSHR (0.50) IDO1TDO2TSHRMAPK1HIF1A
SCHEMBL1426754 0.69 TSHR (0.50) IDO1TDO2TSHRMAPK1HIF1A
SCHEMBL10654649 0.69 TSHR (0.50) IDO1TDO2TSHRMAPK1HIF1A
SCHEMBL28363774 0.68 TSHR (0.40) IDO1TDO2TSHRMAPK1HIF1A
SCHEMBL11780285 0.67 TSHR (0.55) IDO1TDO2TSHRMAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202877-B2 Aminopyrimidinamides as pesticides BAYER CROPSCIENCE AG (DE) 2012-06-19 US disclosed
US-20100298267-A1 AMINOPYRIMIDINAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (US) 2010-11-25 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-20100298267-A1 AMINOPYRIMIDINAMIDES AS PESTICIDES DDT, NPEPPS, PTMS IDO1 668/4885TDO2 872/4885TSHR 3137/4885

“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.