SCHEMBL163726

SCHEMBL163726

Clc1ccc(-n2nnc(-c3ccco3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.48
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 2/20 0.47
F2 P00734 1/20 0.47
GRM5 P41594 2/20 0.46
MAPT P10636 7/20 0.46
NPC1 O15118 6/20 0.46
RAB9A P51151 5/20 0.46
POLB P06746 4/20 0.46
CACNA1B Q00975 2/20 0.46
APBA1 Q02410 2/20 0.46
APAF1 O14727 1/20 0.46
NSD2 O96028 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
HSD17B10 Q99714 2/20 0.44

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
SCHEMBL164662 0.86 GRM5 (0.55) PTGS1F2GRM5MAPTNPC1
SCHEMBL165062 0.79 ANO1 (0.42) PTGS1CYP1A2CYP2C9GRM5MAPT
SCHEMBL27930851 0.76 ADORA3 (0.41) PTGS1CYP1A2CYP2C19CYP2C9F2
SCHEMBL29072516 0.74 NPC1 (0.71) GRM5MAPTNPC1RAB9AKDM4E
SCHEMBL164860 0.73 POLB (0.47) CYP1A2CYP2C19CYP2C9F2GRM5
SCHEMBL164664 0.70 NPC1 (0.50) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL4700569 0.70 GRM5 (0.72) GRM5
SCHEMBL8578631 0.70 RAB9A (0.81) GRM5MAPTNPC1RAB9APOLB
SCHEMBL16039655 0.70 FLT3 (0.55) PTGS1CYP1A2CYP2C19MAPTNPC1
SCHEMBL2528356 0.69 NPC1 (0.57) GRM5MAPTNPC1RAB9AKDM4E

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 13 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
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

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 PTGS1 2687/4885CYP1A2 623/4885CYP2C19 1893/4885
US-20160227780-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS PTMS, TUBA3C, TUBA1C PTGS1 2863/4885CYP1A2 481/4885CYP2C19 1810/4885

“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.