SCHEMBL16187447

SCHEMBL16187447

Cc1cc(-c2cccc(F)c2)cc(C)c1C1C(=O)CC(CCNC(=O)c2ccccn2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ TLR7 Q9NYK1 1/20 0.40
▸ ADORA2A P29274 2/20 0.39
▸ ADORA1 P30542 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37

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
SCHEMBL17617256 0.94 KMT2A (0.43) MEN1KMT2AHDAC3HDAC1
SCHEMBL16187659 0.91 MEN1 (0.47) MEN1KMT2AHDAC3HDAC1
SCHEMBL16187431 0.91 KMT2A (0.42) MEN1KMT2ATLR7ADORA2AADORA1
SCHEMBL16187929 0.90 KMT2A (0.39) MEN1KMT2AHDAC3HDAC1
SCHEMBL17617257 0.88 KMT2A (0.39) MEN1KMT2A
SCHEMBL16187457 0.88 KMT2A (0.47) MEN1KMT2ATLR7ADORA2AADORA1
SCHEMBL17617290 0.88 KMT2A (0.41) MEN1KMT2A
SCHEMBL16187479 0.87 KMT2A (0.43) MEN1KMT2A
SCHEMBL16187891 0.87 SCN9A (0.42) MEN1KMT2AHDAC3HDAC1KCNH2
SCHEMBL16187403 0.86 KMT2A (0.47) MEN1KMT2A

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
US-9808003-B2 Herbicidally active 2-(substituted-phenyl)-cyclopentane-1,3-dione compounds and derivatives thereof SYNGENTA LIMITED (GB) 2017-11-07 — — US disclosed
US-9808003-B2 Herbicidally active 2-(substituted-phenyl)-cyclopentane-1,3-dione compounds and derivatives thereof SYNGENTA LIMITED (GB) 2017-11-07 — — US disclosed
EP-2986593-B1 HERBICIDALLY ACTIVE 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS AND DERIVATIVES THEREOF SYNGENTA LTD (GB) 2017-07-19 — — EP disclosed
US-20160081334-A1 Herbicidally active 2-(substituted-phenyl)-cyclopentane-1,3-dione compounds and derivatives thereof SYNGENTA LIMITED (GB) 2016-03-24 — — US disclosed
US-20160081334-A1 Herbicidally active 2-(substituted-phenyl)-cyclopentane-1,3-dione compounds and derivatives thereof SYNGENTA LIMITED (GB) 2016-03-24 — — US disclosed
WO-2014170413-A1 HERBICIDALLY ACTIVE 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS AND DERIVATIVES THEREOF SYNGENTA LIMITED (GB) 2014-10-23 — — 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-20160081334-A1 Herbicidally active 2-(substituted-phenyl)-cyclopentane-1,3-dione compounds and derivatives thereof DDT, DHPS, HPD MEN1 4465/4885KMT2A 1800/4885TLR7 4436/4885

“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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