SCHEMBL17033150

SCHEMBL17033150

CCCC(=O)NC1(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CTSD P07339 1/20 0.44
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.39
EPHX2 P34913 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
CASP2 P42575 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
TP53 P04637 1/20 0.35
FFAR3 O14843 2/20 0.35
NSD2 O96028 1/20 0.34
TTR P02766 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL8689464 0.90 LMNA (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL24974708 0.90 LMNA (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL17033159 0.87 EPHX2 (0.47) EPHX2SPHK1CES2CES1TP53
SCHEMBL828036 0.81
SCHEMBL30817551 0.81 MAPT (0.54) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12040312 0.80 PHF8 (0.50) HDAC3HDAC1HDAC2HDAC8LMNA
SCHEMBL13146756 0.79 EPHX2 (0.45) LMNAEPHX2SPHK1CES2CES1
SCHEMBL23519766 0.79 HDAC1 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL16907817 0.74
SCHEMBL22858686 0.74 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6

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-10377753-B2 Substituted 4-azaindoles and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2019-08-13 US disclosed
US-20180208595-A1 SUBSTITUTED 4-AZAINDOLES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-07-26 US disclosed
US-9758537-B2 Compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS (US) 2017-09-12 US disclosed
US-20160361329-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20150239838-A1 Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 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 (4 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-20180208595-A1 SUBSTITUTED 4-AZAINDOLES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C HDAC3 293/4885HDAC1 198/4885HDAC2 174/4885
US-10377753-B2 Substituted 4-azaindoles and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN2C HDAC3 293/4885HDAC1 198/4885HDAC2 174/4885
US-20150239838-A1 Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, CFH HDAC3 2547/4885HDAC1 942/4885HDAC2 1757/4885
US-20160361329-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, CFH, TFPI HDAC3 4300/4885HDAC1 2715/4885HDAC2 3401/4885

“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.