SCHEMBL7712397

SCHEMBL7712397

NOC(=O)c1ccc2c(c1)CCN2Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.52
HDAC1 Q13547 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
CYP2C19 P33261 1/20 0.48
CAPN1 P07384 1/20 0.47
ALOX5 P09917 2/20 0.46
EPHX2 P34913 1/20 0.44
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
MMP13 P45452 1/20 0.44
RAB9A P51151 1/20 0.44
PRMT1 Q99873 1/20 0.44

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
SCHEMBL700477 0.88 ACHE (0.52) ACHEHDAC1HDAC8HDAC6HDAC3
SCHEMBL28247407 0.86 HDAC1 (0.63) ACHEHDAC1HDAC8HDAC6HDAC3
SCHEMBL697874 0.85 ALOX5 (0.56) ACHEHDAC1HDAC8HDAC6HDAC3
SCHEMBL6840328 0.83 ACHE (0.54) ACHEHDAC1HDAC8HDAC6HDAC3
SCHEMBL7706261 0.82 ACHE (0.56) ACHEHDAC1HDAC8HDAC6HDAC3
SCHEMBL31476414 0.81 HDAC1 (0.57) ACHEHDAC1HDAC8HDAC6HDAC3
SCHEMBL7706212 0.78 HDAC1 (0.43) ACHEHDAC1HDAC8HDAC6HDAC3
SCHEMBL15612755 0.78 HDAC1 (0.70) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL23754421 0.78 ACHE (0.57) ACHEHDAC1HDAC6
SCHEMBL30027318 0.78 ACHE (0.57) ACHEHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598364-B2 Indolyl or indolinyl hydroxamate compounds TAIPEI MEDICAL UNIVERSITY (TW) 2017-03-21 US disclosed
US-20140364477-A1 INDOLYL OR INDOLINYL HYDROXAMATE COMPOUNDS TAIPEI MEDICAL UNIVERSITY (TW) 2014-12-11 US disclosed
US-8846748-B2 Indolyl or indolinyl hydroxamate compounds TAIPEI MEDICAL UNIVERSITY (TW) 2014-09-30 US disclosed
US-20110245315-A1 INDOLYL OR INDOLINYL HYDROXAMATE COMPOUNDS TAIPEI MEDICAL UNIVERSITY (TW) 2011-10-06 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-20110245315-A1 INDOLYL OR INDOLINYL HYDROXAMATE COMPOUNDS IDH3A, IDH2, IDH3B ACHE 814/4885HDAC1 8/4885HDAC8 128/4885
US-20140364477-A1 INDOLYL OR INDOLINYL HYDROXAMATE COMPOUNDS IDH3A, IDH2, IDH3B ACHE 814/4885HDAC1 8/4885HDAC8 128/4885

“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.