SCHEMBL13087750

SCHEMBL13087750

O=C(CCCCCCNCl)NOCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.62
NCOR2 Q9Y618 4/20 0.62
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HDAC1 Q13547 6/20 0.47
HDAC2 Q92769 6/20 0.47
HDAC8 Q9BY41 5/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
ALOX5 P09917 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
SCHEMBL3058857 1.00 HDAC3 (0.62) HDAC3NCOR2NPC1RAB9AHDAC1
SCHEMBL13087529 1.00 HDAC3 (0.62) HDAC3NCOR2NPC1RAB9AHDAC1
SCHEMBL13087285 0.99 HDAC3 (0.60) HDAC3NCOR2NPC1RAB9AHDAC1
SCHEMBL13087507 0.94 HDAC3 (0.58) HDAC3NCOR2NPC1RAB9AHDAC1
SCHEMBL6763786 0.89 HDAC3 (0.74) HDAC3NCOR2NPC1RAB9AHDAC1
SCHEMBL9191952 0.88 HDAC3 (0.71) HDAC3NCOR2NPC1RAB9AHDAC1
SCHEMBL3233893 0.86 HDAC3 (0.62) HDAC3NCOR2NPC1RAB9AHDAC1
SCHEMBL3233201 0.86 HDAC3 (0.62) HDAC3NCOR2NPC1RAB9AHDAC1
SCHEMBL3238191 0.86 HDAC3 (0.62) HDAC3NCOR2NPC1RAB9AHDAC1
SCHEMBL1377409 0.85 HDAC3 (0.68) HDAC3NCOR2NPC1RAB9AHDAC1

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-20100261710-A1 HDAC Inhibitors ARQULE, INC. (US) 2010-10-14 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-20100261710-A1 HDAC Inhibitors HDAC5, HDAC1, HDAC4 HDAC3 7/4885NCOR2 120/4885NPC1 1203/4885

“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.