SCHEMBL16892137

SCHEMBL16892137

Nc1ccccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 1.00
NAMPT P43490 8/20 0.78
HDAC3 O15379 6/20 0.78
HDAC2 Q92769 6/20 0.78
NCOR2 Q9Y618 5/20 0.78
HDAC4 P56524 3/20 0.78
HDAC7 Q8WUI4 3/20 0.78
HDAC10 Q969S8 3/20 0.78
HDAC11 Q96DB2 3/20 0.78
HDAC8 Q9BY41 3/20 0.78
HDAC6 Q9UBN7 3/20 0.78
HDAC9 Q9UKV0 3/20 0.78
HDAC5 Q9UQL6 3/20 0.78
NCOR1 O75376 1/20 0.78
KCNH2 Q12809 1/20 0.78
KDM1A O60341 1/20 0.62
CYP3A4 P08684 1/20 0.62
F3 P13726 1/20 0.62

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
SCHEMBL31285112 0.92 HDAC1 (0.86) HDAC1NAMPTHDAC3HDAC2NCOR2
SCHEMBL12634215 0.92 HDAC1 (0.85) HDAC1NAMPTHDAC3HDAC2NCOR2
SCHEMBL1565603 0.91 HDAC1 (0.84) HDAC1NAMPTHDAC3HDAC2NCOR2
SCHEMBL12632912 0.91 HDAC1 (0.84) HDAC1NAMPTHDAC3HDAC2NCOR2
SCHEMBL4255532 0.90 HDAC1 (1.00) HDAC1NAMPTHDAC3HDAC2NCOR2
SCHEMBL4255531 0.90 HDAC1 (1.00) HDAC1NAMPTHDAC3HDAC2NCOR2
SCHEMBL24372333 0.88 HDAC1 (0.80) HDAC1NAMPTHDAC3HDAC2NCOR2
Tucidinostat SCHEMBL4483082 0.88 HDAC1 (1.00) HDAC1NAMPTHDAC3HDAC2NCOR2
Tucidinostat SCHEMBL13815849 0.88 HDAC1 (1.00) HDAC1NAMPTHDAC3HDAC2NCOR2
SCHEMBL5500152 0.88 HDAC1 (1.00) HDAC1NAMPTHDAC3HDAC2NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11377423-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2022-07-05 US disclosed
EP-2877444-B1 INHIBITORS OF HISTONE DEACETYLASE BROAD INST INC (US) 2020-09-02 EP disclosed
US-20180072671-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE, INC. (US) 2018-03-15 US disclosed
US-9790184-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2017-10-17 US disclosed
US-20150191427-A1 INHIBITORS OF HISTONE DEACETYLASE THE GENERAL HOSPITAL CORPORATION D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2015-07-09 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 (3 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-20180072671-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 HDAC1 2/4885NAMPT 2876/4885HDAC3 1/4885
US-20150191427-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC5 HDAC1 2/4885NAMPT 2872/4885HDAC3 1/4885
US-11377423-B2 Inhibitors of histone deacetylase HDAC3, HDAC1, HDAC11 HDAC1 2/4885NAMPT 2885/4885HDAC3 1/4885

“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.