SCHEMBL164664

SCHEMBL164664

Clc1ccc(-n2nnc(-c3cccs3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.50
RAB9A P51151 10/20 0.50
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 4/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 4/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PKM P14618 3/20 0.43
RECQL P46063 1/20 0.43
NFKB1 P19838 1/20 0.42
CASP3 P42574 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL164439 0.86 ABCG2 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL23625878 0.85 ALDH1A1 (0.47) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL31615498 0.81 NPC1 (0.58) NPC1RAB9ASMN1; SMN2KDM4EHTT
SCHEMBL163673 0.78 NPC1 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL25064019 0.78 NPC1 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL25063701 0.77 NPC1 (0.43) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL23625653 0.76 NPC1 (0.42) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL27930842 0.75 NPC1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL29072516 0.74 NPC1 (0.71) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL161689 0.73 KMT2A (0.43) NPC1RAB9AALDH1A1TDP1KDM4E

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 39 patents — showing the first 20. 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
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-9907306-B2 Compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2018-03-06 US disclosed
US-9907306-B2 Compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2018-03-06 US disclosed
US-9868719-B2 Compounds with pesticidal activity BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-16 US disclosed
EP-3024330-B1 IMIDAZOTHIA(DIA)ZOLE SULFONAMIDES AS NEMATICIDES BAYER CROPSCIENCE AG (DE) 2017-08-30 EP disclosed
WO-2015007668-A1 HETEROCYCLIC SULFONYLAMINO(THIO)CARBONYL-DERIVATIVES WITH NEMATICIDAL PROPERTIES BAYER CROPSCIENCE AG (DE) 2015-01-22 WO disclosed
US-20130303368-A1 NEW COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2013-11-14 US disclosed
US-20130303368-A1 NEW COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2013-11-14 US disclosed
US-20130303368-A1 NEW COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2013-11-14 US disclosed
CN-103221397-A Novel compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC 2013-07-24 CN 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
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 NPC1 2710/4885RAB9A 1454/4885ALDH1A1 3893/4885
US-20160227780-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS PTMS, TUBA3C, TUBA1C NPC1 2646/4885RAB9A 1599/4885ALDH1A1 3632/4885

“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.