SCHEMBL16187432

SCHEMBL16187432

Cc1cc(Br)cc(C)c1C1C(=O)CC(CCNC(=O)c2ccccn2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ ALOX15 P16050 1/20 0.39

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
SCHEMBL19139477 1.00 KMT2A (0.44) KMT2AMEN1SMN1; SMN2ALDH1A1HDAC3
SCHEMBL16187490 0.95 KMT2A (0.42) KMT2AMEN1SMN1; SMN2ALDH1A1HDAC3
SCHEMBL16187429 0.94 KMT2A (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1HDAC3
SCHEMBL16187403 0.92 KMT2A (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1EPHX2
SCHEMBL17617261 0.91 KMT2A (0.44) KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL19139893 0.91 KMT2A (0.44) KMT2AMEN1SMN1; SMN2ALDH1A1EPHX2
SCHEMBL17617260 0.90 KMT2A (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1EPHX2
SCHEMBL17617259 0.89 KMT2A (0.48) KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL16187457 0.88 KMT2A (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL17617290 0.88 KMT2A (0.41) KMT2AMEN1SMN1; 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
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 4465/4885SMN1; SMN2 4705/4885

“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.

Send feedback