SCHEMBL16132811

SCHEMBL16132811

Cc1cccc(C2(C(=O)NO)CCCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 17/20 1.00
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL29622095 0.83 HDAC4 (0.71) HDAC4MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL7822328 0.82 HDAC4 (0.69) HDAC4MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL17147282 0.81 HDAC4 (0.68) HDAC4MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL27907597 0.80 HDAC4 (0.67) HDAC4MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL13485795 0.80 HDAC4 (1.00) HDAC4MEN1KMT2ANPSR1
SCHEMBL28173850 0.79 HDAC4 (0.66) HDAC4MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL8110741 0.79 HDAC4 (0.65) HDAC4MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL17502816 0.78 HDAC4 (1.00) HDAC4MEN1KMT2ANPSR1
SCHEMBL16132896 0.78 HDAC4 (1.00) HDAC4MEN1KMT2ANPSR1
SCHEMBL16132818 0.78 HDAC4 (0.63) HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9783488-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-10-10 US claimed
US-20160039745-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF BIOFOCUS DPI LIMITED (GB) 2016-02-11 US claimed
US-9783488-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-10-10 US disclosed
US-9783488-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-10-10 US disclosed
US-9783488-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-10-10 US disclosed
US-20160039745-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF BIOFOCUS DPI LIMITED (GB) 2016-02-11 US disclosed
US-20160039745-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF BIOFOCUS DPI LIMITED (GB) 2016-02-11 US disclosed
US-20160039745-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF BIOFOCUS DPI LIMITED (GB) 2016-02-11 US disclosed
WO-2014159224-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2014-10-02 WO 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-20160039745-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 HDAC4 10/4885MEN1 3789/4885CYP1A2 2659/4885

“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.