SCHEMBL19954665

SCHEMBL19954665

CC(C)c1cc(C(F)(F)F)nn1C1CCC(O)C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TGFBR1 P36897 1/20 0.32
AR P10275 1/20 0.32
MAP3K12 Q12852 1/20 0.31
NR3C2 P08235 1/20 0.31
KCNN4 O15554 1/20 0.30

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
SCHEMBL19954523 0.92 TGFBR1 (0.35) MEN1KMT2ATGFBR1MAP3K12NR3C2
SCHEMBL19105611 0.87 TGFBR1 (0.35) LMNAMEN1KMT2ATGFBR1MAP3K12
SCHEMBL19954552 0.86 MAP3K12 (0.33) TGFBR1MAP3K12NR3C2KCNN4
SCHEMBL19954611 0.84 MPO (0.35) MEN1KMT2ATGFBR1MAP3K12NR3C2
SCHEMBL18164113 0.82 GAA (0.38) LMNACYP2C9MEN1KMT2ATGFBR1
SCHEMBL19954663 0.81 NR3C2 (0.38) MEN1KMT2ATGFBR1MAP3K12NR3C2
SCHEMBL19954553 0.81 NR3C2 (0.40) MEN1KMT2ATGFBR1MAP3K12NR3C2
SCHEMBL21023784 0.81 NR3C2 (0.36) LMNATGFBR1MAP3K12NR3C2
SCHEMBL19954571 0.81 NR3C2 (0.34) TGFBR1MAP3K12NR3C2
SCHEMBL19954547 0.80 MEN1 (0.40) MEN1KMT2ANR3C2

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 LMNA 3599/4885CYP2C9 2358/4885MEN1 3723/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D LMNA 3599/4885CYP2C9 2358/4885MEN1 3723/4885

“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.