Sugi Predict

Sugi Predict / Compounds / SCHEMBL754791

SCHEMBL754791

SCHEMBL754791

CC(/C=C/c1ccccc1)N(CC1CCN(c2ncc(C(=O)NOC3CCCCO3)cn2)CC1)S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 17/20 0.46
▸ HDAC3 O15379 16/20 0.46
▸ HDAC4 P56524 16/20 0.46
▸ HDAC1 Q13547 16/20 0.46
▸ HDAC7 Q8WUI4 16/20 0.46
▸ HDAC2 Q92769 16/20 0.46
▸ HDAC10 Q969S8 16/20 0.46
▸ HDAC11 Q96DB2 16/20 0.46
▸ HDAC8 Q9BY41 16/20 0.46
▸ HDAC9 Q9UKV0 16/20 0.46
▸ HDAC5 Q9UQL6 16/20 0.46
▸ TGFBR1 P36897 1/20 0.37
▸ P2RX3 P56373 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ NCOR2 Q9Y618 1/20 0.34

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
SCHEMBL763165 0.89 HDAC3 (0.46) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL753795 0.85 HDAC6 (0.62) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL9971074 0.85 HDAC1 (0.57) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL754643 0.82 HDAC6 (0.51) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL12295649 0.82 HDAC3 (0.66) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL756326 0.81 HDAC3 (0.71) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL753773 0.80 HDAC3 (0.47) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL754766 0.80 HDAC3 (0.71) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL10097879 0.79 HDAC3 (0.69) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL12295630 0.79 HDAC3 (0.67) HDAC6HDAC3HDAC4HDAC1HDAC7

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-8377935-B2 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 — — US disclosed
US-20120157456-A1 SUBSTITUTED AMINOPROPENYL PIPERIDINE OR MORPHOLINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2012-06-21 — — US disclosed
US-8138198-B2 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase ANGIBAUD PATRICK RENE (FR) 2012-03-20 — — US disclosed
US-20090221580-A1 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase ANGIBAUD PATRICK RENE 2009-09-03 — — 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-20090221580-A1 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase HDAC1, HDAC2, HDAC3 HDAC6 10/4885HDAC3 3/4885HDAC4 8/4885
US-20120157456-A1 SUBSTITUTED AMINOPROPENYL PIPERIDINE OR MORPHOLINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC2, HDAC3 HDAC6 10/4885HDAC3 3/4885HDAC4 8/4885

“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.