SCHEMBL15094033

SCHEMBL15094033

O=C(NO)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.78
KCNK3 O14649 2/20 0.76
LMNA P02545 1/20 0.76
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
PTGS1 P23219 2/20 0.72
HTT P42858 1/20 0.72
RAB9A P51151 1/20 0.72
P2RX1 P51575 1/20 0.71
KCNK9 Q9NPC2 1/20 0.71
RXFP1 Q9HBX9 1/20 0.66
RHOC P08134 1/20 0.64
RHOA P61586 1/20 0.64
POLB P06746 2/20 0.63
TSHR P16473 1/20 0.61
KCNQ3 O43525 1/20 0.61
KCNQ2 O43526 1/20 0.61
KCNE1 P15382 1/20 0.61
KCNQ1 P51787 1/20 0.61
KCNQ5 Q9NR82 1/20 0.61

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
SCHEMBL4286068 0.91 MAPT (0.94) MAPTKCNK3LMNAMEN1KMT2A
SCHEMBL3028309 0.90 MAPT (0.76) MAPTKCNK3LMNAMEN1KMT2A
SCHEMBL14880151 0.89 CES2 (0.67) MAPTKCNK3LMNAMEN1KMT2A
SCHEMBL5943734 0.88 KCNK3 (0.68) MAPTKCNK3LMNAMEN1KMT2A
SCHEMBL2494871 0.88 KCNK3 (0.81) MAPTKCNK3LMNAMEN1KMT2A
SCHEMBL4656855 0.88 MAPT (0.78) MAPTKCNK3LMNAMEN1KMT2A
SCHEMBL3068289 0.88 CES2 (0.65) MAPTKCNK3LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL29274936 0.88 CES2 (0.65) MAPTKCNK3LMNAMEN1KMT2A
SCHEMBL3034522 0.87 MAPT (0.72) MAPTKCNK3LMNAMEN1KMT2A
SCHEMBL31060524 0.87 MAPT (0.76) MAPTKCNK3LMNAMEN1KMT2A

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-10604493-B2 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (US) 2020-03-31 US disclosed
US-20170088524-A1 Compositions, Methods of Use, And Methods of Treatment UNIVERSITY OF SOUTH FLORIDA 2017-03-30 US disclosed
US-9556131-B2 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (US) 2017-01-31 US disclosed
US-20140378516-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT UNIVERSITY OF SOUTH FLORIDA 2014-12-25 US disclosed
EP-2800568-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT University Of South Florida (US) 2014-11-12 EP disclosed
WO-2013103760-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT UNIVERSITY OF SOUTH FLORIDA (US) 2013-07-11 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 (3 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-20140378516-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT LIPA, LCT, GAA MAPT 2458/4885KCNK3 4371/4885LMNA 343/4885
US-10604493-B2 Compositions, methods of use, and methods of treatment LIPA, LCT, GAA MAPT 2458/4885KCNK3 4371/4885LMNA 343/4885
US-20170088524-A1 Compositions, Methods of Use, And Methods of Treatment LIPA, LCT, GAA MAPT 2458/4885KCNK3 4371/4885LMNA 343/4885

“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.