SCHEMBL16675971

SCHEMBL16675971

CC(C)c1nn(CCCO)c2cc(F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.41
SCN9A Q15858 2/20 0.41
SLC22A12 Q96S37 1/20 0.39
NLRP3 Q96P20 1/20 0.35
HTR2C P28335 3/20 0.35
HTR2A P28223 2/20 0.35
ESR1 P03372 1/20 0.34
PLK1 P53350 1/20 0.34
PDE5A O76074 1/20 0.34
GCGR P47871 3/20 0.34
DHODH Q02127 1/20 0.34
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33

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
SCHEMBL16675970 0.86 HASPIN (0.42) SCN5ASCN9ASLC22A12NLRP3HTR2C
SCHEMBL16675973 0.82 MPO (0.41) SLC22A12NLRP3
SCHEMBL16675972 0.82 PLK1 (0.43) SLC22A12NLRP3PLK1
SCHEMBL16682146 0.82 KMO (0.46) SCN5ASCN9ASLC22A12ESR1PLK1
SCHEMBL17229778 0.81 ADORA2A (0.41) SLC22A12NLRP3HTR2CHTR2AESR1
SCHEMBL19976788 0.80 SCN5A (0.40) SCN5ASCN9ASLC22A12ESR1PLK1
SCHEMBL17229784 0.76 ATM (0.38) HTR2CHTR2AESR1
SCHEMBL17229789 0.72 RBP4 (0.42) NLRP3HTR2CHTR2A
SCHEMBL17229761 0.70 KDM4E (0.40) NLRP3HTR2CHTR2APLK1DHODH
SCHEMBL17013219 0.68 REN (0.38) SCN9AHTR2A

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 6 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-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 SCN5A 1162/4885SCN9A 2111/4885SLC22A12 2134/4885
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE ATP5F1A, ATP5F1D, ATP5F1C SCN5A 1504/4885SCN9A 1999/4885SLC22A12 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.