SCHEMBL19954626

SCHEMBL19954626

CC(C)c1cc(C(F)(F)F)nn1C1CCN(C(=O)c2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
L3MBTL3 Q96JM7 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ACHE P22303 1/20 0.42
KDM5A P29375 9/20 0.42
IDH1 O75874 1/20 0.41
IDH2 P48735 1/20 0.41
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAP3K12 Q12852 1/20 0.40
HSD11B1 P28845 1/20 0.39

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
SCHEMBL18164108 0.87 KDM4E (0.45) KDM4EKMT2ASMN1; SMN2KDM2AL3MBTL3
SCHEMBL19954520 0.85 KDM5A (0.39) KDM5AIDH1ALDH1A1MAPTTHRB
SCHEMBL19954594 0.85 GAA (0.46) KDM5A
SCHEMBL18161164 0.84 KDM5A (0.53) KDM4EKMT2ASMN1; SMN2KDM2AL3MBTL3
SCHEMBL19954601 0.84 KDM5A (0.38) KMT2AKDM5AALDH1A1MAPTTHRB
SCHEMBL19954568 0.83 IRAK4 (0.38) KDM5AALDH1A1MAPTTHRBHPGD
SCHEMBL19954599 0.79 NR3C2 (0.39) KMT2ASMN1; SMN2ACACBACACAALDH1A1
SCHEMBL19954630 0.78 NR3C2 (0.36) KMT2AKDM5AALDH1A1MAPTTHRB
SCHEMBL19954569 0.78 PKM (0.41) KDM4EACACBACACAALDH1A1MAPT
SCHEMBL19954655 0.77 GAA (0.36) KMT2A

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 3 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
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 KDM4E 2682/4885KMT2A 4057/4885SMN1; SMN2 3715/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D KDM4E 2682/4885KMT2A 4057/4885SMN1; SMN2 3715/4885

“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.