SCHEMBL16187403

SCHEMBL16187403

Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3ccccn3)C2=O)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ CFTR P13569 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ ALOX15 P16050 1/20 0.40

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
SCHEMBL19139432 0.93 KMT2A (0.44) KMT2AMEN1CFTRSMN1; SMN2ALDH1A1
SCHEMBL17617261 0.93 KMT2A (0.44) KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL19139893 0.93 KMT2A (0.44) KMT2AMEN1SMN1; SMN2ALDH1A1EPHX2
SCHEMBL19279596 0.92 MEN1 (0.40) KMT2AMEN1CFTRSMN1; SMN2
SCHEMBL19139477 0.92 KMT2A (0.44) KMT2AMEN1SMN1; SMN2ALDH1A1EPHX2
SCHEMBL16187432 0.92 KMT2A (0.44) KMT2AMEN1SMN1; SMN2ALDH1A1EPHX2
SCHEMBL17617260 0.92 KMT2A (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1EPHX2
SCHEMBL16187457 0.92 KMT2A (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL16187484 0.91 KMT2A (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL17617259 0.91 KMT2A (0.48) KMT2AMEN1SMN1; SMN2ALDH1A1

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 KMT2A 1800/4885MEN1 4465/4885CFTR 2654/4885

“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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