SCHEMBL17434666

SCHEMBL17434666

O=C(OCCc1cc(Br)c(F)cc1Cl)OCCc1cc(Br)c(F)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.33
ERCC1 P07992 1/20 0.33
ERCC4 Q92889 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 2/20 0.32
HSP90AA1 P07900 1/20 0.32
RECQL P46063 1/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TYR P14679 1/20 0.31
KDM1A O60341 2/20 0.30
KDM1B Q8NB78 2/20 0.30
MRGPRX4 Q96LA9 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL17434665 0.89 NPC1 (0.32) IDO1NPC1RAB9AGAAL3MBTL1
SCHEMBL9234348 0.81 L3MBTL1 (0.37) IDO1ERCC1ERCC4GAAL3MBTL1
SCHEMBL47800 0.77 MAPT (0.37) NPC1RAB9AL3MBTL1MAPTLMNA
SCHEMBL6695072 0.74 L3MBTL1 (0.48) L3MBTL1MAPTPOLBHPGDSMN1; SMN2
SCHEMBL17466054 0.72 KDM1A (0.37) NPC1RAB9AKDM1AKDM1B
SCHEMBL9234344 0.71 L3MBTL1 (0.34) IDO1NPC1RAB9AL3MBTL1MAPT
SCHEMBL28490129 0.70 KDM1A (0.38) NPC1RAB9AKDM1AKDM1B
SCHEMBL28688751 0.70 LMNA (0.36) NPC1RAB9ALMNATYRKDM1A
SCHEMBL31207412 0.69 L3MBTL1 (0.38) GAAL3MBTL1POLBSMN1; SMN2KDM1A
SCHEMBL30917603 0.69 F13A1 (0.41) SMN1; SMN2KDM1AKDM1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 US disclosed
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-01-28 US disclosed
EP-2975040-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF Sagami Chemical Research Institute (JP) 2016-01-20 EP 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 (1 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-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF DDT, PDHX, CYP4X1 IDO1 1593/4885ERCC1 3227/4885ERCC4 3177/4885

“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.