SCHEMBL6375604

SCHEMBL6375604

COCCOc1ccc(-c2ccc(C(=O)NN)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
MAPT P10636 6/20 0.57
ALDH1A1 P00352 4/20 0.57
HTT P42858 1/20 0.57
CHEK2 O96017 1/20 0.54
MAPK1 P28482 1/20 0.54
PLK1 P53350 1/20 0.51
RAB9A P51151 1/20 0.51
MCHR1 Q99705 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
RARB P10826 3/20 0.49
NPC1 O15118 2/20 0.49
CHEK1 O14757 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48

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
SCHEMBL18068446 0.88 CA1 (0.66) CA1CA2MAPTALDH1A1HTT
SCHEMBL6538458 0.87 PLK1 (0.69) CA1CA2MAPTALDH1A1HTT
SCHEMBL7323928 0.87 RARB (0.63) CA1CA2PLK1RAB9AHRH3
SCHEMBL6375309 0.86 RARB (0.56) CA1CA2MAPTALDH1A1HTT
SCHEMBL14926517 0.85 MAPT (0.80) CA1CA2MAPTCHEK2RAB9A
SCHEMBL7323028 0.85 CA1 (0.64) CA1CA2MAPTALDH1A1HTT
SCHEMBL7332665 0.85 CA1 (0.64) CA1CA2MAPTALDH1A1HTT
SCHEMBL7320562 0.85 CA1 (0.64) CA1CA2MAPTALDH1A1HTT
SCHEMBL7317986 0.84 RARB (0.68) PLK1RARB
SCHEMBL13861910 0.83 RARB (0.68) MAPTHTTCHEK2MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050181988-A1 Echinocandin cyclic peptide derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 US disclosed
WO-2003068807-A2 ECHINOCANDIN CYCLIC PEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-08-21 WO 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 (1 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-20050181988-A1 Echinocandin cyclic peptide derivatives NGLY1, ARG1, ERG28 CA1 2327/4885CA2 1523/4885MAPT 4050/4885

“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.