SCHEMBL16675970

SCHEMBL16675970

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 2/20 0.42
HTR2C P28335 5/20 0.37
HTR2A P28223 4/20 0.37
SLC22A12 Q96S37 1/20 0.37
PLK1 P53350 1/20 0.34
NLRP3 Q96P20 2/20 0.33
ICMT O60725 1/20 0.33
CNR1 P21554 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
ESR1 P03372 1/20 0.32
ATM Q13315 1/20 0.32
DPP4 P27487 1/20 0.32
HTR3A P46098 1/20 0.31
GCGR P47871 1/20 0.31
PIK3CD O00329 1/20 0.31

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
SCHEMBL16675971 0.86 SCN5A (0.41) HTR2CHTR2ASLC22A12PLK1NLRP3
SCHEMBL16682138 0.82 HASPIN (0.50) HASPINHTR2CHTR2ASLC22A12PLK1
SCHEMBL17229778 0.81 ADORA2A (0.41) HTR2CHTR2ASLC22A12NLRP3ICMT
SCHEMBL18556901 0.80 HASPIN (0.43) HASPINHTR2CHTR2ASLC22A12PLK1
SCHEMBL16675973 0.79 MPO (0.41) SLC22A12NLRP3
SCHEMBL16675972 0.79 PLK1 (0.43) SLC22A12PLK1NLRP3
SCHEMBL17229784 0.76 ATM (0.38) HTR2CHTR2AESR1ATMPIK3CD
SCHEMBL17229789 0.72 RBP4 (0.42) HTR2CHTR2ANLRP3ATMPIK3CD
SCHEMBL17229761 0.70 KDM4E (0.40) HTR2CHTR2APLK1NLRP3ICMT
SCHEMBL22474002 0.69 RBP4 (0.35) HTR2CHTR2ASLC22A12ESR1

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 HASPIN 2875/4885HTR2C 3097/4885HTR2A 3071/4885
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE ATP5F1A, ATP5F1D, ATP5F1C HASPIN 2970/4885HTR2C 4133/4885HTR2A 3080/4885

“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.