SCHEMBL164240

SCHEMBL164240

Cc1cc(Cl)ccc1-c1nnn(-c2cccs2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.40
RAB9A P51151 10/20 0.37
NPC1 O15118 9/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
MAPT P10636 7/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
NOTUM Q6P988 1/20 0.36
POLB P06746 2/20 0.35
HPGD P15428 2/20 0.35
HIF1A Q16665 1/20 0.35
PKM P14618 2/20 0.34
MAPK1 P28482 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33

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
SCHEMBL27912771 0.82 NPC1 (0.34) CASP3RAB9ANPC1NFKB1NFKB2
SCHEMBL161689 0.78 KMT2A (0.43) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL164349 0.74 NOTUM (0.42) CASP3RAB9ANPC1NFKB1NFKB2
SCHEMBL163673 0.74 NPC1 (0.44) RAB9ANPC1MAPTALDH1A1POLB
SCHEMBL166807 0.70 NPC1 (0.51) RAB9ANPC1ALDH1A1HPGDMAPK1
SCHEMBL13930916 0.65 NPC1 (0.69) CASP3RAB9ANPC1NFKB1NFKB2
SCHEMBL164664 0.64 NPC1 (0.50) CASP3RAB9ANPC1NFKB1NFKB2
SCHEMBL2562927 0.64 NOTUM (0.46) CASP3RAB9ANPC1ALDH1A1NOTUM
SCHEMBL165062 0.62 ANO1 (0.42) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL29719717 0.62 NOTUM (0.53) CASP3NOTUMPOLBGAAHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611786-B1 NEW COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2019-06-12 EP claimed
US-9907306-B2 Compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2018-03-06 US claimed
US-20160227780-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2016-08-11 US claimed
US-9339035-B2 Compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2016-05-17 US claimed
US-20130303368-A1 NEW COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2013-11-14 US claimed
EP-2611786-B1 NEW COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2019-06-12 EP disclosed
US-9907306-B2 Compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2018-03-06 US disclosed
US-20160227780-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2016-08-11 US disclosed
US-9339035-B2 Compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2016-05-17 US disclosed
US-20130303368-A1 NEW COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2013-11-14 US disclosed
EP-2611786-A1 NEW COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS Monsanto Technology LLC (US) 2013-07-10 EP disclosed
WO-2012030887-A1 NEW COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS DIVERGENCE, INC. (US) 2012-03-08 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 (2 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-20130303368-A1 NEW COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS PTMS, TUBA3C, TUBA1C CASP3 270/4885RAB9A 1454/4885NPC1 2710/4885
US-20160227780-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS PTMS, TUBA3C, TUBA1C CASP3 240/4885RAB9A 1599/4885NPC1 2646/4885

“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.