SCHEMBL16675973

SCHEMBL16675973

CNC(=O)CCCn1nc(C(C)C)c2ccc(F)cc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.41
NLRP3 Q96P20 2/20 0.40
SLC22A12 Q96S37 1/20 0.39
MAPK8 P45983 1/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 2/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 3/20 0.35
RXFP1 Q9HBX9 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
KDM4C Q9H3R0 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SYK P43405 1/20 0.34

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
SCHEMBL19976904 0.83 MPO (0.41) MPOSLC22A12MAPK8TP53MEN1
SCHEMBL16675972 0.82 PLK1 (0.43) NLRP3SLC22A12
SCHEMBL16675971 0.82 SCN5A (0.41) NLRP3SLC22A12
SCHEMBL16675970 0.79 HASPIN (0.42) NLRP3SLC22A12
SCHEMBL17229778 0.75 ADORA2A (0.41) NLRP3SLC22A12MAPT
SCHEMBL17229784 0.70 ATM (0.38) MAPK8KDM4CSYK
SCHEMBL19526609 0.68 HTR3A (0.36) TP53MEN1KMT2ANPC1KDM4C
SCHEMBL16471694 0.68 REN (0.41)
SCHEMBL17229789 0.66 RBP4 (0.42) NLRP3SYK
SCHEMBL18556910 0.66 PLK1 (0.45)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920012-B2 Indazole guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-20 US disclosed
US-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-20150152063-A1 INDAZOLE GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-06-04 US disclosed
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-04-30 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-20150152063-A1 INDAZOLE GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D MPO 2329/4885NLRP3 1014/4885SLC22A12 2134/4885
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE ATP5F1A, ATP5F1D, ATP5F1C MPO 1962/4885NLRP3 3424/4885SLC22A12 1751/4885

“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.