SCHEMBL19360274

SCHEMBL19360274

CC(C)(C)N/C(=N/C(=O)c1ccc(F)cc1)Nc1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.42
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
NR4A2 P43354 1/20 0.40
LMNA P02545 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL17088954 0.93 MAPT (0.41) MRGPRX4MAPTPDK1PDK2PDK3
SCHEMBL9905384 0.92 BCL2L1 (0.43) MRGPRX4PDK1PDK2PDK3PDK4
SCHEMBL9905780 0.92 BCL2L1 (0.43) MRGPRX4PDK1PDK2PDK3PDK4
SCHEMBL9905383 0.92 BCL2L1 (0.43) MRGPRX4PDK1PDK2PDK3PDK4
SCHEMBL19360272 0.87 MAPT (0.41) MAPTTP53
SCHEMBL19360275 0.84 MAPT (0.39) MAPTTP53LMNAGAAHDAC1
SCHEMBL17088956 0.84 ERAP1 (0.44) MAPTKMT2AMEN1NR1H4LMNA
SCHEMBL9905739 0.84 MRGPRX4 (0.42) MRGPRX4NR4A2MAOBPPARGSMPD1
SCHEMBL9905738 0.84 MRGPRX4 (0.42) MRGPRX4NR4A2MAOBPPARGSMPD1
SCHEMBL9905736 0.84 MRGPRX4 (0.42) MRGPRX4NR4A2MAOBPPARGSMPD1

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-9932313-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-04-03 US disclosed
US-9932313-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-04-03 US disclosed
US-20170267643-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-09-21 US disclosed
US-20170267643-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-09-21 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 (1 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-20170267643-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5F1D, ATP5ME MRGPRX4 758/4885MAPT 3530/4885TP53 306/4885

“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.