SCHEMBL19954599

SCHEMBL19954599

CC(C)c1cc(C(F)(F)F)nn1C1CCN(C(=O)N(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.39
PDE7A Q13946 3/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PKM P14618 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
VNN1 O95497 1/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.33
WNT3 P56703 1/20 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
SCHEMBL19954569 0.85 PKM (0.41) NR3C2ACACBACACANPSR1PKM
SCHEMBL21023784 0.83 NR3C2 (0.36) NR3C2NPSR1ALDH1A1MAPTTHRB
SCHEMBL19954520 0.83 KDM5A (0.39) NR3C2NPSR1ALDH1A1MAPTTHRB
SCHEMBL18161173 0.83 KDM5A (0.44) PDE7AKMT2AMEN1SMN1; SMN2ACACB
SCHEMBL21023570 0.82 NR3C2 (0.38) NR3C2PDE7ASMN1; SMN2ACACBACACA
SCHEMBL19105611 0.82 TGFBR1 (0.35) NR3C2KMT2AMEN1TSHRGAA
SCHEMBL19954601 0.81 KDM5A (0.38) NR3C2KMT2AMEN1NPSR1ALDH1A1
SCHEMBL19954525 0.81 SMN1; SMN2 (0.37) NR3C2SMN1; SMN2ALDH1A1GAA
SCHEMBL19954568 0.81 IRAK4 (0.38) NR3C2NPSR1PKMALDH1A1MAPT
SCHEMBL19954566 0.80 NR3C1 (0.36) NR3C2ALDH1A1

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 NR3C2 4324/4885PDE7A 352/4885KMT2A 4057/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D NR3C2 4324/4885PDE7A 352/4885KMT2A 4057/4885

“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.