SCHEMBL13596788

SCHEMBL13596788

Nc1ccc(Cn2cnc3c(Cl)nc(Cl)nc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 8/20 0.57
▸ HDAC1 Q13547 8/20 0.57
▸ HDAC4 P56524 5/20 0.57
▸ HDAC2 Q92769 4/20 0.57
▸ HDAC3 O15379 3/20 0.57
▸ HDAC7 Q8WUI4 3/20 0.57
▸ HDAC10 Q969S8 3/20 0.57
▸ HDAC11 Q96DB2 3/20 0.57
▸ HDAC8 Q9BY41 3/20 0.57
▸ HDAC9 Q9UKV0 3/20 0.57
▸ HDAC5 Q9UQL6 3/20 0.57
▸ YTHDC1 Q96MU7 7/20 0.52
▸ HSP90AA1 P07900 1/20 0.49
▸ HSP90AB1 P08238 1/20 0.49
▸ PDE8A O60658 1/20 0.49
▸ P2RX7 Q99572 1/20 0.48
▸ ADORA2A P29274 1/20 0.47

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
SCHEMBL25547980 0.88 HDAC6 (0.69) HDAC6HDAC1HDAC4HDAC2HDAC3
SCHEMBL13596787 0.88 PDE8A (0.62) HDAC6HDAC1HDAC4HDAC2HDAC3
SCHEMBL5465713 0.88 P2RX7 (0.56) HDAC6HDAC1HDAC4HDAC2HDAC3
SCHEMBL5459615 0.85 HDAC6 (0.60) HDAC6HDAC1HDAC4HDAC2HDAC3
SCHEMBL5461215 0.85 HDAC6 (0.60) HDAC6HDAC1HDAC4HDAC2HDAC3
SCHEMBL183057 0.85 YTHDC1 (0.68) HDAC1HDAC2HDAC8YTHDC1P2RX7
SCHEMBL30898278 0.85 YTHDC1 (0.68) HDAC1HDAC2HDAC8YTHDC1P2RX7
SCHEMBL5471560 0.83 YTHDC1 (0.55) HDAC6HDAC1HDAC4HDAC2HDAC3
SCHEMBL17815605 0.82 HDAC6 (0.62) HDAC6HDAC1HDAC4HDAC2HDAC3
SCHEMBL15921464 0.82 ADORA2A (0.52) HDAC6HDAC1HDAC4HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324551-A1 TLR AGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA OFFICE OF TECHNOLOGY TRANSFER (US) 2009-12-31 — — 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-20090324551-A1 TLR AGONISTS TLR3, TLR1, TLR5 HDAC6 263/4885HDAC1 2269/4885HDAC4 949/4885

“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.

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