SCHEMBL6511656

SCHEMBL6511656

COc1ccc(-c2ccc(C(=N)NO)cc2)cc1-c1nc2cc(C(=N)NO)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 5/20 0.42
HDAC6 Q9UBN7 2/20 0.41
HPSE Q9Y251 7/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
PRSS1 P07477 1/20 0.41
RHEB Q15382 1/20 0.38
CHEK2 O96017 1/20 0.37
ALOX5 P09917 1/20 0.37
EPHX2 P34913 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
NFKB1 P19838 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
SCHEMBL6511666 0.90 HDAC6 (0.42) AMY1AHDAC6HPSEF2F10
SCHEMBL6505174 0.89 HDAC6 (0.46) AMY1AHDAC6HPSEF2F10
SCHEMBL6530664 0.88 HDAC6 (0.40) AMY1AHDAC6HPSEF2F10
SCHEMBL5399385 0.84 PLAU (0.54) F2F10PLGPLAUPLAT
SCHEMBL6510661 0.84 F2 (0.46) AMY1AHDAC6F2F10PLG
SCHEMBL6505444 0.81 HDAC6 (0.46) AMY1AHDAC6F2F10PLG
SCHEMBL6530669 0.81 HDAC6 (0.40) AMY1AHDAC6HPSEF2F10
SCHEMBL6505199 0.80 F10 (0.46) AMY1AHDAC6F2F10PLG
Acetic Acid SCHEMBL6508267 0.80 PLAU (0.50) F2F10PLGPLAUPLAT
SCHEMBL6506681 0.79 HDAC6 (0.47) HDAC6PLAUPRSS1CHEK2KDM4E

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-20050148646-A1 Dicationic triaryl analogs as anti-protozoan agents BOYKIN DAVID W (US) 2005-07-07 US claimed
US-20050148646-A1 Dicationic triaryl analogs as anti-protozoan agents BOYKIN DAVID W (US) 2005-07-07 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 (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-20050148646-A1 Dicationic triaryl analogs as anti-protozoan agents DDT, DDC, DARS1 AMY1A 4670/4885HDAC6 466/4885HPSE 3458/4885

“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.