SCHEMBL1656981

SCHEMBL1656981

COC(=O)c1nc(Cl)nc2c1cc(C)n2Cc1ccco1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.52
▸ ALDH1A1 P00352 11/20 0.48
▸ LMNA P02545 3/20 0.48
▸ MAPT P10636 7/20 0.46
▸ GAA P10253 5/20 0.46
▸ POLB P06746 3/20 0.46
▸ HTT P42858 1/20 0.46
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ RECQL P46063 1/20 0.44
▸ USP2 O75604 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RAB9A P51151 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ KDM4E B2RXH2 7/20 0.42
▸ GFER P55789 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL11903008 0.83 TSHR (0.43) TSHRALDH1A1LMNAMAPTGAA
SCHEMBL11902918 0.81 TSHR (0.42) TSHRALDH1A1LMNAMAPTGAA
SCHEMBL11902325 0.71 ALDH1A1 (0.40) TSHRALDH1A1LMNAMAPTGAA
SCHEMBL11918046 0.69 TSHR (0.42) TSHRALDH1A1LMNAMAPTGAA
SCHEMBL118131 0.69 SMN1; SMN2 (0.49) TSHRALDH1A1LMNAMAPTPOLB
SCHEMBL20119920 0.69 KMT2A (0.48) ALDH1A1LMNAMAPTPOLBHTT
SCHEMBL1653865 0.68 SMN1; SMN2 (0.47) TSHRALDH1A1LMNAMAPTGAA
SCHEMBL11903315 0.68 TSHR (0.39) TSHRALDH1A1LMNAMAPTGAA
SCHEMBL11903049 0.66 GAA (0.41) TSHRALDH1A1LMNAMAPTGAA
SCHEMBL11903164 0.66 CCR2 (0.38) TSHRALDH1A1MAPTGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488518-A2 HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2012-08-22 — — EP disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
CN-102574849-A Herbicidal compounds SYNGENTA LTD 2012-07-11 — — CN disclosed
WO-2011045561-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2011-04-21 — — WO disclosed
WO-2011045561-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2011-04-21 — — 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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO TSHR 2970/4885ALDH1A1 718/4885LMNA 4587/4885

“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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