SCHEMBL16039655

SCHEMBL16039655

Clc1ccc(-n2cc(-c3ccco3)nn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.55
GSK3B P49841 1/20 0.54
PTGS1 P23219 2/20 0.51
RAB9A P51151 4/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 1/20 0.47
RECQL P46063 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47

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
SCHEMBL16038331 0.86 ALDH1A1 (0.51) PTGS1RAB9AKDM4EMAPTNPC1
SCHEMBL16041896 0.85 FLT3 (0.55) FLT3PTGS1RAB9AKDM4EMAPT
SCHEMBL28330114 0.74 FLT3 (0.73) FLT3GSK3BPTGS1RAB9AKDM4E
SCHEMBL16040122 0.73 PTGS1 (0.55) PTGS1RAB9AKDM4EMAPTNPC1
SCHEMBL16040665 0.73 FLT3 (0.50) FLT3GSK3BPTGS1RAB9AKDM4E
SCHEMBL17427773 0.73 MAP4K4 (0.48) PTGS1RAB9AKDM4EMAPTNPC1
SCHEMBL12420378 0.71 FLT3 (0.69) FLT3GSK3BPTGS1PTGS2CA12
SCHEMBL16039924 0.70 FLT3 (0.57) FLT3GSK3BPTGS1RAB9AKDM4E
SCHEMBL163726 0.70 PTGS1 (0.48) PTGS1RAB9AKDM4EMAPTNPC1
SCHEMBL25045147 0.69 NOTUM (0.59) FLT3GSK3BPTGS1RAB9AKDM4E

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10398144-B2 N-,C-disubstituted azoles and compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2019-09-03 US claimed
US-20170332639-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2017-11-23 US claimed
US-9763449-B2 N-,C-disubstituted azoles and compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2017-09-19 US claimed
US-20160302415-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2016-10-20 US claimed
US-9402397-B2 N-,C-disubstituted azoles and compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2016-08-02 US claimed
US-20160007605-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2016-01-14 US claimed
US-9173401-B2 N-,C-disubstituted azoles and compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2015-11-03 US claimed
US-20140274689-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2014-09-18 US claimed
US-10398144-B2 N-,C-disubstituted azoles and compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2019-09-03 US disclosed
US-10398144-B2 N-,C-disubstituted azoles and compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2019-09-03 US disclosed
US-20170332639-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2017-11-23 US disclosed
US-20170332639-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2017-11-23 US disclosed
US-20170332639-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2017-11-23 US disclosed
US-9763449-B2 N-,C-disubstituted azoles and compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2017-09-19 US disclosed
US-9173401-B2 N-,C-disubstituted azoles and compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2015-11-03 US disclosed
US-9173401-B2 N-,C-disubstituted azoles and compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2015-11-03 US disclosed
WO-2014152115-A1 N-,C-DISUBSTITUTED AZOLES FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2014-09-25 WO disclosed
US-20140274689-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2014-09-18 US disclosed
US-20140274689-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2014-09-18 US disclosed
US-20140274689-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2014-09-18 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 (5 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-20160007605-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS CYCS, DNPH1, DDT FLT3 4659/4885GSK3B 4092/4885PTGS1 3153/4885
US-20170332639-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS CYCS, DNPH1, DDT FLT3 4659/4885GSK3B 4092/4885PTGS1 3153/4885
US-20140274689-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS CYCS, DNPH1, DDT FLT3 4659/4885GSK3B 4092/4885PTGS1 3153/4885
US-10398144-B2 N-,C-disubstituted azoles and compositions and methods for controlling nematode pests CYCS, DNPH1, DDT FLT3 4659/4885GSK3B 4092/4885PTGS1 3153/4885
US-20160302415-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS CYCS, DNPH1, DDT FLT3 4659/4885GSK3B 4092/4885PTGS1 3153/4885

“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.