SCHEMBL15768707

SCHEMBL15768707

CC1(C(=O)O)C(c2ccccc2)C1c1ccc(-n2cccn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 3/20 0.56
▸ NOTUM Q6P988 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ADAM17 P78536 1/20 0.40
▸ MGLL Q99685 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KAT6A Q92794 1/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HRH3 Q9Y5N1 3/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD3 P35462 1/20 0.38

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
SCHEMBL15768709 1.00 HDAC4 (0.56) HDAC4NOTUMKDM4EALDH1A1MAPK1
Bicarbonate SCHEMBL10672835 0.74 NOTUM (0.57) HDAC4NOTUMKDM4EALDH1A1MAPK1
SCHEMBL19366420 0.74 HDAC4 (0.60) HDAC4NOTUMKDM4EALDH1A1MAPK1
SCHEMBL12498388 0.74 HDAC4 (0.71) HDAC4NOTUMKDM4EALDH1A1MAPK1
SCHEMBL12499403 0.73 HDAC4 (0.60) HDAC4ALDH1A1MAPK1
SCHEMBL15768615 0.73 HDAC4 (0.60) HDAC4ALDH1A1MAPK1
SCHEMBL15769080 0.73 HDAC4 (0.49) HDAC4ALDH1A1MEN1KMT2A
SCHEMBL12498406 0.73 HDAC4 (0.49) HDAC4ALDH1A1MEN1KMT2A
SCHEMBL12498909 0.72 HDAC4 (1.00) HDAC4
SCHEMBL12498910 0.72 HDAC4 (1.00) 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 2 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-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 — — 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 (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 10/4885NOTUM 1372/4885KDM4E 166/4885

“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.

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