SCHEMBL16675887

SCHEMBL16675887

CC(C)c1n[nH]c2cc(F)c(Cl)cc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALPL P05186 4/20 0.35
MAPK1 P28482 7/20 0.34
HTR7 P34969 1/20 0.34
GRM4 Q14833 1/20 0.33
TRPA1 O75762 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
MAP2 P11137 1/20 0.32
EGFR P00533 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 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
SCHEMBL16675890 0.93 GPR84 (0.39) MAPTALDH1A1TDP1ALPLMAPK1
SCHEMBL17229798 0.86 TRPA1 (0.33) MAPK1TRPA1GPR84
SCHEMBL25843813 0.81 PRKAB2 (0.33)
SCHEMBL18556914 0.78 GPR84 (0.39) MAPTALDH1A1TDP1ALPLMAPK1
SCHEMBL25843809 0.78 EIF4A3 (0.39)
SCHEMBL13122191 0.77 ADORA2A (0.47) MAPTALDH1A1TDP1ALPLMAPK1
SCHEMBL25691952 0.74 PRKAB2 (0.32)
SCHEMBL13122206 0.73 HTR7 (0.39) MAPTALDH1A1TDP1ALPLMAPK1
SCHEMBL16675892 0.72 GSK3B (0.44) ALDH1A1TRPA1GPR84
SCHEMBL13915052 0.72 MAP2K4 (0.51) MAPK1

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 MAPT 3020/4885ALDH1A1 1548/4885TDP1 701/4885
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE ATP5F1A, ATP5F1D, ATP5F1C MAPT 2894/4885ALDH1A1 2346/4885TDP1 1292/4885

“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.