SCHEMBL12498388

SCHEMBL12498388

COC(=O)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccc(-n2cccn2)cc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 5/20 0.71
▸ POLB P06746 1/20 0.54
▸ TSHR P16473 2/20 0.46
▸ ATM Q13315 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ NOTUM Q6P988 1/20 0.41
▸ ADAM17 P78536 1/20 0.41
▸ KAT6A Q92794 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
SCHEMBL12498910 0.83 HDAC4 (1.00) HDAC4
SCHEMBL12498909 0.83 HDAC4 (1.00) HDAC4
SCHEMBL12694438 0.79 HDAC4 (0.48) HDAC4POLBMAPTALDH1A1MAPK1
SCHEMBL19366420 0.78 HDAC4 (0.60) HDAC4POLBMAPTALDH1A1MAPK1
SCHEMBL14225120 0.75 POLB (0.89) HDAC4POLBTSHRATMMAPT
SCHEMBL19355164 0.75 POLB (0.89) HDAC4POLBTSHRATMMAPT
SCHEMBL15769078 0.74 POLB (0.70) HDAC4POLBTSHRATMMAPT
SCHEMBL15768709 0.74 HDAC4 (0.56) HDAC4MAPTALDH1A1MAPK1TP53
SCHEMBL15768707 0.74 HDAC4 (0.56) HDAC4MAPTALDH1A1MAPK1TP53
SCHEMBL12694484 0.73 POLB (0.68) HDAC4POLBTSHRATMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 — — US disclosed
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 — — US disclosed
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 — — US disclosed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 — — US disclosed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 — — US disclosed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 — — US disclosed
EP-2667709-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2013-12-04 — — EP disclosed
WO-2012103008-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2012-08-02 — — 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-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 HDAC4 10/4885POLB 252/4885TSHR 4604/4885

“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.

Send feedback