SCHEMBL164860

SCHEMBL164860

Clc1ccc(-c2nnn(-c3ccco3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CASP3 P42574 1/20 0.42
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GRM5 P41594 2/20 0.40
TSHR P16473 3/20 0.39
LTA4H P09960 3/20 0.39
USP2 O75604 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL166670 0.86 NPC1 (0.51) NPC1HPGDRAB9ASMN1; SMN2GRM5
SCHEMBL164349 0.78 NOTUM (0.42) POLBCASP3KDM4EMAPTNPC1
SCHEMBL28806785 0.75 DPP4 (0.35) POLBTDP1CASP3KMT2AKDM4E
SCHEMBL163726 0.73 PTGS1 (0.48) POLBTDP1CASP3KMT2AKDM4E
SCHEMBL29072516 0.71 NPC1 (0.71) CASP3KDM4EMAPTNPC1ALDH1A1
SCHEMBL16040665 0.70 FLT3 (0.50) CASP3KDM4EMAPTNPC1ALDH1A1
SCHEMBL161689 0.70 KMT2A (0.43) TDP1KMT2AKDM4EMAPTNPC1
SCHEMBL2528356 0.69 NPC1 (0.57) CASP3KMT2AKDM4EMAPTNPC1
SCHEMBL2611134 0.66 KMT2A (0.54) KMT2AKDM4EMAPTNPC1ALDH1A1
SCHEMBL28586484 0.66 TDP1 (0.37) POLBTDP1KMT2AKDM4EMAPT

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 POLB 4277/4885TDP1 3214/4885CASP3 270/4885
US-20160227780-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS PTMS, TUBA3C, TUBA1C POLB 3973/4885TDP1 2738/4885CASP3 240/4885

“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.