SCHEMBL17327652

SCHEMBL17327652

O=C(NO)[C@]1(c2ccccc2)CCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 3/20 1.00
HDAC4 P56524 11/20 0.53
HCAR2 Q8TDS4 1/20 0.40
OPRL1 P41146 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
SCHEMBL17316117 1.00 HDAC9 (1.00) HDAC9HDAC4HCAR2OPRL1
SCHEMBL17327651 1.00 HDAC9 (1.00) HDAC9HDAC4HCAR2OPRL1
SCHEMBL4432306 0.83 HDAC9 (0.71) HDAC9HDAC4HCAR2
SCHEMBL17316049 0.80 HDAC9 (0.67) HDAC9HCAR2OPRL1
SCHEMBL18736676 0.74 HDAC9 (0.59) HDAC9HDAC4
SCHEMBL11190038 0.74 HDAC9 (0.58) HDAC9HCAR2
SCHEMBL14214917 0.73 HDAC9 (0.57) HDAC9HDAC4HCAR2
SCHEMBL27359306 0.71 HDAC9 (0.55) HDAC9OPRL1
SCHEMBL27728415 0.71 HDAC9 (0.55) HDAC9HCAR2
SCHEMBL11565801 0.70 HDAC9 (0.54) HDAC9HCAR2

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
EP-3148539-B1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2021-02-17 EP disclosed
US-10457675-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2019-10-29 US disclosed
US-20170101402-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2017-04-13 US disclosed
WO-2015187542-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC. (US) 2015-12-10 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 (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-10457675-B2 Histone deacetylase inhibitors and compositions and methods of use thereof HDAC1, HDAC7, HDAC2 HDAC9 8/4885HDAC4 10/4885HCAR2 844/4885
US-20170101402-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC6, HDAC5 HDAC9 6/4885HDAC4 7/4885HCAR2 800/4885

“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.