SCHEMBL11903315

SCHEMBL11903315

COC(=O)c1nc(Cl)nc([AsH]Cc2ccco2)c1I

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.39
▸ ALDH1A1 P00352 7/20 0.39
▸ HPGD P15428 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ GAA P10253 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ APP P05067 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90B1 P14625 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
SCHEMBL1653865 0.80 SMN1; SMN2 (0.47) TSHRALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL118131 0.72 SMN1; SMN2 (0.49) TSHRALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL11903314 0.71 HSD17B10 (0.35) TSHRALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL1653862 0.71 HSD17B10 (0.34) TSHRALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL1656981 0.68 TSHR (0.52) TSHRALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL719555 0.67 NPSR1 (0.48) ALDH1A1HPGDSMN1; SMN2KDM4EMAPT
SCHEMBL29352298 0.67 NPSR1 (0.48) ALDH1A1HPGDSMN1; SMN2KDM4EMAPT
SCHEMBL11918046 0.66 TSHR (0.42) TSHRALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL10255541 0.66 NPSR1 (0.47) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3792082 0.66 NPSR1 (0.47) ALDH1A1SMN1; SMN2KDM4E

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-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — 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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO TSHR 2970/4885ALDH1A1 718/4885HPGD 474/4885

“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.

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