SCHEMBL4814673

SCHEMBL4814673

O=C(NO)c1ccc(C#CCNC(=O)c2cc3cc(F)ccc3s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.46
HDAC6 Q9UBN7 5/20 0.45
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC3 O15379 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
CHRNA7 P36544 3/20 0.41
HTR3A P46098 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CLK1 P49759 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4817432 0.86 HDAC1 (0.59) HDAC1HDAC6RAB9AHDAC2HDAC3
SCHEMBL447565 0.79 HDAC1 (0.49) HDAC1HDAC6MEN1NPC1RAB9A
SCHEMBL4258440 0.77 HDAC1 (0.52) HDAC1HDAC6RAB9AHDAC2HDAC3
SCHEMBL4819697 0.76 SLC9A1 (0.44) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL4819571 0.75 HDAC1 (0.56) HDAC1HDAC6MEN1RAB9AKMT2A
SCHEMBL13753968 0.75 RAB9A (0.55) HDAC1HDAC6MEN1NPC1RAB9A
SCHEMBL5970403 0.75 HDAC1 (0.59) HDAC1HDAC6MEN1RAB9AKMT2A
SCHEMBL4809196 0.74 RAB9A (0.51) HDAC1HDAC6RAB9AHDAC2HDAC3
SCHEMBL12663149 0.72 HDAC1 (0.73) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL4818285 0.71 SOST (0.59) HDAC1HDAC6HDAC2HDAC3HDAC8

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-20080139547-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2008-06-12 US claimed
US-7368572-B2 Acetylene derivatives as inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2008-05-06 US claimed
EP-1656348-B1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARM INC (US) 2007-02-07 EP claimed
US-20050131018-A1 Acetylene derivatives as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2005-06-16 US claimed

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-20080139547-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC10, HDAC2 HDAC1 1/4885HDAC6 10/4885MEN1 3063/4885
US-20050131018-A1 Acetylene derivatives as inhibitors of histone deacetylase HDAC1, HDAC10, HDAC2 HDAC1 1/4885HDAC6 10/4885MEN1 3063/4885

“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.