SCHEMBL20570334

SCHEMBL20570334

FC(F)(F)c1cccc(Nc2nc3nonc3nc2Nc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.85
TP53 P04637 3/20 0.85
SMN1; SMN2 Q16637 3/20 0.85
POLB P06746 1/20 0.82
CCR2 P41597 1/20 0.75
CCR5 P51681 1/20 0.75
IDH2 P48735 4/20 0.55
ABCG2 Q9UNQ0 3/20 0.50
EGFR P00533 1/20 0.50
BRAF P15056 1/20 0.50
KIF11 P52732 1/20 0.50
GRM4 Q14833 1/20 0.50
CTSC P53634 1/20 0.49
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
AURKA O14965 1/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 1/20 0.48
GMNN O75496 1/20 0.48

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
SCHEMBL30754779 1.00 MAPT (0.85) MAPTTP53SMN1; SMN2POLBCCR2
SCHEMBL22542652 0.94 TP53 (0.85) MAPTTP53SMN1; SMN2POLBCCR2
SCHEMBL26035087 0.92 MAPT (0.84) MAPTTP53SMN1; SMN2POLBCCR2
SCHEMBL3057044 0.92 MAPT (0.73) MAPTTP53SMN1; SMN2POLBCCR2
SCHEMBL26034850 0.90 MAPT (0.71) MAPTTP53SMN1; SMN2POLBCCR2
SCHEMBL22542936 0.89 MAPT (0.72) MAPTTP53SMN1; SMN2POLBCCR2
SCHEMBL30754716 0.89 MAPT (0.72) MAPTTP53SMN1; SMN2POLBCCR2
SCHEMBL21499963 0.87 MAPT (0.67) MAPTTP53SMN1; SMN2POLBCCR2
SCHEMBL26035431 0.87 MAPT (0.66) MAPTTP53SMN1; SMN2POLBCCR2
SCHEMBL26035027 0.85 MAPT (0.64) MAPTTP53SMN1; SMN2POLBCCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11896591-B2 Compositions and methods for preparing and using mitochondrial uncouplers UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2024-02-13 US disclosed
WO-2023159248-A1 RE-SENSITIZING MULTIDRUG-RESISTANT (MDR) GRAM-NEGATIVE BACTERIA TO COLISTIN USING IONOPHORES THE REGENTS OF THE UNIVERSITY OF COLORADO A BODY CORPORATE (US) 2023-08-24 WO disclosed
US-20200323846-A1 COMPOSITIONS AND METHODS FOR PREPARING AND USING MITOCHONDRIAL UNCOUPLERS UNIVERSITY OF VIRGINA PATENT FOUNDATION (US) 2020-10-15 US disclosed
US-20200323846-A1 COMPOSITIONS AND METHODS FOR PREPARING AND USING MITOCHONDRIAL UNCOUPLERS UNIVERSITY OF VIRGINA PATENT FOUNDATION (US) 2020-10-15 US disclosed
EP-3630115-A1 COMPOSITIONS AND METHODS FOR PREPARING AND USING MITOCHONDRIAL UNCOUPLERS University Of Virginia Patent Foundation (US) 2020-04-08 EP disclosed
WO-2018217757-A1 COMPOSITIONS AND METHODS FOR PREPARING AND USING MITOCHONDRIAL UNCOUPLERS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2018-11-29 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-11896591-B2 Compositions and methods for preparing and using mitochondrial uncouplers ACAD9, GPR119, NDUFAF1 MAPT 3834/4885TP53 3537/4885SMN1; SMN2 334/4885
US-20200323846-A1 COMPOSITIONS AND METHODS FOR PREPARING AND USING MITOCHONDRIAL UNCOUPLERS ACAD9, GPR119, NDUFAF1 MAPT 3834/4885TP53 3537/4885SMN1; SMN2 334/4885

“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.