SCHEMBL18205236

SCHEMBL18205236

CC(CN1Cc2ccccc2C1)NC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.50
HDAC4 P56524 2/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 2/20 0.44
NAMPT P43490 3/20 0.43
PRMT5 O14744 3/20 0.42
WDR77 Q9BQA1 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
NOTUM Q6P988 1/20 0.41

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
SCHEMBL18205210 0.90 MEN1 (0.58) CARM1HDAC4MEN1KMT2AMAPT
SCHEMBL28928597 0.80 PRMT5 (0.51) CARM1HDAC4POLBNAMPTPRMT5
SCHEMBL29758947 0.80 PRMT5 (0.51) CARM1HDAC4POLBNAMPTPRMT5
SCHEMBL18212444 0.80 PRMT5 (0.51) CARM1HDAC4POLBNAMPTPRMT5
SCHEMBL4896798 0.79 CARM1 (0.45) CARM1MEN1KMT2AMAPTL3MBTL1
SCHEMBL18210490 0.78 CARM1 (0.44) CARM1MEN1KMT2AMAPTL3MBTL1
SCHEMBL18205240 0.78 HDAC4 (0.52) HDAC4MEN1KMT2A
SCHEMBL18205172 0.76 HDAC4 (0.52) CARM1HDAC4MEN1KMT2AMAPT
SCHEMBL18205171 0.73 DPP8 (0.53) NAMPTNOTUM
SCHEMBL29563547 0.73 CARM1 (0.61) CARM1MEN1KMT2APRMT5WDR77

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-20190202795-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2019-07-04 US disclosed
US-10053434-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-08-21 US disclosed
EP-3291810-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2018-03-14 EP disclosed
WO-2016179554-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2016-11-10 WO disclosed
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-11-10 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-20190202795-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 CARM1 59/4885HDAC4 10/4885MEN1 3789/4885
US-10053434-B2 Histone deacetylase inhibitors and compositions and methods of use thereof HDAC1, HDAC7, HDAC5 CARM1 59/4885HDAC4 10/4885MEN1 3789/4885
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 CARM1 59/4885HDAC4 10/4885MEN1 3789/4885

“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.