SCHEMBL16675972

SCHEMBL16675972

CC(=O)NCCCn1nc(C(C)C)c2ccc(F)cc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.43
SLC22A12 Q96S37 1/20 0.39
TDO2 P48775 1/20 0.39
NLRP3 Q96P20 1/20 0.38
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
NOTUM Q6P988 1/20 0.37
BRD4 O60885 1/20 0.37
DYRK1A Q13627 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
SCHEMBL18556910 0.85 PLK1 (0.45) PLK1TDO2MTNR1AMTNR1BNOTUM
SCHEMBL16675973 0.82 MPO (0.41) SLC22A12NLRP3
SCHEMBL16675971 0.82 SCN5A (0.41) PLK1SLC22A12NLRP3
SCHEMBL16675970 0.79 HASPIN (0.42) PLK1SLC22A12NLRP3
SCHEMBL16471694 0.76 REN (0.41) PLK1BRD4
SCHEMBL15418081 0.76 KDM4E (0.39) PLK1BRD4
SCHEMBL17229778 0.75 ADORA2A (0.41) SLC22A12NLRP3
SCHEMBL16471696 0.74 HDAC6 (0.37) PLK1BRD4
SCHEMBL12523940 0.74 BRD4 (0.39) PLK1BRD4
SCHEMBL19526609 0.74 HTR3A (0.36) PLK1MTNR1AMTNR1B

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 PLK1 2815/4885SLC22A12 2134/4885TDO2 3867/4885
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE ATP5F1A, ATP5F1D, ATP5F1C PLK1 3278/4885SLC22A12 1751/4885TDO2 4387/4885

“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.