SCHEMBL2204249

SCHEMBL2204249

Cn1nnc(C(C(=O)c2ccc(Cl)cc2Cl)C(=O)C(C)(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HSD17B10 Q99714 1/20 0.36
GLA P06280 1/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.36
NR2F2 P24468 1/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL9653722 0.71 TSHR (0.49) RAB9AALDH1A1KMT2AMEN1POLB
SCHEMBL30209768 0.64 SMN1; SMN2 (0.59) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL12532565 0.64 SMN1; SMN2 (0.59) RAB9AALDH1A1KMT2AMEN1POLB
SCHEMBL8196836 0.64 SMN1; SMN2 (0.59) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL13494354 0.63 SMN1; SMN2 (0.57) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL3130853 0.63 SMN1; SMN2 (0.57) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL10362600 0.62 SMN1; SMN2 (0.52) RAB9AALDH1A1KMT2AMEN1POLB
SCHEMBL9723100 0.62 SMN1; SMN2 (0.52) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL28549090 0.62 SMN1; SMN2 (0.61) RAB9AALDH1A1TP53KMT2AMEN1
SCHEMBL5058907 0.62 ALDH1A1 (0.42) NPC1RAB9AALDH1A1TP53CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670772-B1 DERIVATIVES OF 1,3-DIONES HAVING A HERBICIDAL ACTIVITY ISAGRO RICERCA SRL (IT) 2011-08-17 EP disclosed
US-7982047-B2 Derivatives of 1,3-diones having a herbicidal activity ISAGRO RICERCA S.R.L. (IT) 2011-07-19 US disclosed
US-7982047-B2 Derivatives of 1,3-diones having a herbicidal activity ISAGRO RICERCA S.R.L. (IT) 2011-07-19 US disclosed
US-7982047-B2 Derivatives of 1,3-diones having a herbicidal activity ISAGRO RICERCA S.R.L. (IT) 2011-07-19 US disclosed
US-20070015918-A1 Derivatives of 1,3-diones having a herbicidal activity ISAGRO RICERCA S.R.L (IT) 2007-01-18 US disclosed
US-20070015918-A1 Derivatives of 1,3-diones having a herbicidal activity ISAGRO RICERCA S.R.L (IT) 2007-01-18 US disclosed
US-20070015918-A1 Derivatives of 1,3-diones having a herbicidal activity ISAGRO RICERCA S.R.L (IT) 2007-01-18 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-20070015918-A1 Derivatives of 1,3-diones having a herbicidal activity DDT, CYP1B1, CYP51A1 NPC1 4594/4885RAB9A 1773/4885ALDH1A1 13/4885

“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.