SCHEMBL18558124

SCHEMBL18558124

CCc1ccc(-c2cc(N/C(=N\C(=O)c3ccc(C(F)(F)F)cc3)NC(C)(C)C)[nH]n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
SNCA P37840 2/20 0.40
ACR P10323 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HDAC1 Q13547 3/20 0.38
KDM1A O60341 2/20 0.38
P2RY14 Q15391 1/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL18558123 0.90 SNCA (0.41) ALPLSNCAACRHDAC1P2RY14
SCHEMBL9905362 0.90 SNCA (0.48) ALPLCA12SNCAACRLMNA
SCHEMBL9905358 0.90 SNCA (0.48) ALPLCA12SNCAACRLMNA
SCHEMBL18558333 0.90 SNCA (0.41) ALPLCA12SNCAACRP2RY14
SCHEMBL18558030 0.89 GRM5 (0.41) SNCAACRTP53P2RY14GSK3B
SCHEMBL18557787 0.87 ALPL (0.41) ALPLCA12CA9LMNATP53
SCHEMBL18558075 0.86 SNCA (0.37) SNCAACRP2RY14HDAC6ADORA3
SCHEMBL9905739 0.85 MRGPRX4 (0.42) HDAC1
SCHEMBL9905738 0.85 MRGPRX4 (0.42) HDAC1
SCHEMBL9905736 0.85 MRGPRX4 (0.42) HDAC1

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-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-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 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 ALPL 4028/4885CA12 4881/4885CA9 4595/4885

“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.