SCHEMBL800463

SCHEMBL800463

CCCCCC(NC(=O)OCc1ccccc1)c1nc(-c2nc(-c3nc(C(=O)O)co3)co2)co1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
CTSL P07711 3/20 0.44
CTSS P25774 3/20 0.44
CTSB P07858 2/20 0.44
CTSK P43235 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
SIRT2 Q8IXJ6 9/20 0.42
SIRT1 Q96EB6 7/20 0.42
SIRT3 Q9NTG7 4/20 0.42
ATM Q13315 1/20 0.41

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
SCHEMBL800815 0.93 CTSL (0.44) MAPTCTSLCTSSCTSBCTSK
SCHEMBL10045820 0.87 MAPT (0.61) MAPTHDAC6HDAC3HDAC4HDAC1
SCHEMBL12299153 0.87 CTSL (0.45) MAPTCTSLCTSSCTSBCTSK
SCHEMBL800804 0.86 CTSL (0.39) MAPTCTSLCTSSCTSBCTSK
SCHEMBL800816 0.83 MAPT (0.54) MAPTHDAC6HDAC3HDAC4HDAC1
SCHEMBL10045817 0.81 MAPT (0.59) MAPTHDAC6HDAC3HDAC4HDAC1
SCHEMBL10045825 0.79 MAPT (0.56) MAPTHDAC6HDAC3HDAC4HDAC1
SCHEMBL10045814 0.77 MAPT (0.69) MAPTHDAC6HDAC3HDAC4HDAC1
SCHEMBL800458 0.76 MAPT (0.38) MAPTCTSLCTSSCTSBCTSK
SCHEMBL10045819 0.76 MAPT (0.52) MAPTHDAC6HDAC3HDAC4HDAC1

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-8518928-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-08-27 US disclosed
US-20120071527-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-22 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-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 MAPT 2056/4885CTSL 3569/4885CTSS 4015/4885

“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.