SCHEMBL5801586

SCHEMBL5801586

O=C(Nc1ccccc1C(F)(F)F)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 2/20 0.55
MAPK1 P28482 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ATM Q13315 1/20 0.54
ALDH1A1 P00352 2/20 0.53
JAK2 O60674 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
KLK7 P49862 1/20 0.51
TSHR P16473 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL23060425 0.85 POLB (0.54) POLBMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL26628119 0.85 CETP (0.57) POLBMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL23060406 0.85 POLB (0.58) POLBMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL2092532 0.82 POLB (0.58) POLBMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL1008398 0.82 POLB (0.63) POLBMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL29958946 0.82 GRIN2D (0.60) POLBMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL3938038 0.82 POLB (0.58) POLBMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL167598 0.82 GRIN2D (0.60) POLBMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL5142574 0.81 POLB (0.76) POLBMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL20560294 0.81 POLB (0.57) POLBMEN1KMT2AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-10-26 US disclosed
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-10-26 US disclosed
US-20060189628-A1 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. 2006-08-24 US disclosed
WO-2006071958-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-06 WO disclosed
US-4299831-A 2-Trifluoromethyl-3-quinoline carboxamides, analgesic and anti-inflammatory compositions and methods employing them ROUSSEL UCLAF (FR) 1981-11-10 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 (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-20060189628-A1 Compounds useful as chemokine receptor antagonists ACKR3, CCR5, CXCR2 POLB 3618/4885MEN1 2336/4885KMT2A 4425/4885
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF DDT, ACHE, AHR POLB 4131/4885MEN1 3871/4885KMT2A 1545/4885

“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.