SCHEMBL19954537

SCHEMBL19954537

CC(C)c1cc(C(F)(F)F)nn1C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAT P00750 2/20 0.42
TGFBR1 P36897 2/20 0.40
NSD3 Q9BZ95 1/20 0.38
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
KHK P50053 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
MAP3K12 Q12852 2/20 0.34
DLK1 P80370 1/20 0.34
NR3C2 P08235 1/20 0.34
IRAK4 Q9NWZ3 4/20 0.33

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
SCHEMBL19954570 0.92 TGFBR1 (0.42) PLATTGFBR1NSD3SLC6A2SLC6A4
SCHEMBL19105611 0.90 TGFBR1 (0.35) TGFBR1MEN1KMT2AMAP3K12NR3C2
SCHEMBL19954553 0.87 NR3C2 (0.40) TGFBR1MEN1ALDH1A1KMT2ATLR8
SCHEMBL19954663 0.87 NR3C2 (0.38) TGFBR1MEN1KMT2AMAP3K12NR3C2
SCHEMBL21024127 0.85 NR3C2 (0.40) TGFBR1MEN1ALDH1A1KMT2ATLR8
SCHEMBL19954571 0.83 NR3C2 (0.34) TGFBR1MAP3K12NR3C2
SCHEMBL21023784 0.83 NR3C2 (0.36) TGFBR1ALDH1A1MAPTMAP3K12NR3C2
SCHEMBL19954606 0.83 TGFBR1 (0.41) TGFBR1MAP3K12NR3C2IRAK4
SCHEMBL19954523 0.83 TGFBR1 (0.35) TGFBR1MEN1KMT2AMAP3K12NR3C2
SCHEMBL19954525 0.83 SMN1; SMN2 (0.37) TGFBR1ALDH1A1ALOX15MAP3K12NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392350-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2019-08-27 US disclosed
EP-3080087-B1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2019-05-22 EP disclosed
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION 2018-08-09 US disclosed
US-9914706-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-13 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-10392350-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof ATP5F1A, ATP5ME, ATP5F1D PLAT 2233/4885TGFBR1 4644/4885NSD3 3199/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D PLAT 2233/4885TGFBR1 4644/4885NSD3 3199/4885

“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.