SCHEMBL14780871

SCHEMBL14780871

CCOC(=O)c1ccc(N2C[C@H]3C2CN3Cc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 3/20 0.47
MAPK1 P28482 1/20 0.47
F2RL3 Q96RI0 2/20 0.46
HTT P42858 4/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
PRMT1 Q99873 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
KDM4E B2RXH2 1/20 0.43
P2RX3 P56373 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 2/20 0.43

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
SCHEMBL16302086 1.00 ALDH1A1 (0.49) ALDH1A1TSHRSMN1; SMN2LMNAMAPK1
SCHEMBL1367720 0.82 ALDH1A1 (0.48) ALDH1A1TSHRSMN1; SMN2LMNAMAPK1
SCHEMBL12428589 0.77 TDP1 (0.50) ALDH1A1SMN1; SMN2LMNAMAPK1HTT
SCHEMBL7958755 0.77 TDP1 (0.50) ALDH1A1SMN1; SMN2LMNAMAPK1HTT
SCHEMBL2385947 0.75 HTT (0.48) ALDH1A1TSHRSMN1; SMN2LMNAMAPK1
SCHEMBL8199391 0.74 ALDH1A1 (0.45) ALDH1A1TSHRSMN1; SMN2LMNAMAPK1
SCHEMBL11381594 0.74 HTT (0.59) ALDH1A1TSHRSMN1; SMN2LMNAMAPK1
SCHEMBL3318522 0.73 PRMT1 (0.68) ALDH1A1TSHRSMN1; SMN2LMNAMAPK1
SCHEMBL12428588 0.72 HTT (0.50) ALDH1A1TSHRSMN1; SMN2LMNAMAPK1
SCHEMBL7958753 0.72 HTT (0.50) ALDH1A1TSHRSMN1; SMN2LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase FMR LLC 2017-01-05 US disclosed
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2016-08-04 US disclosed
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2015-03-19 US disclosed
US-8399452-B2 Anticancer agents; antiproliferative agenst; antiprotozoa agents METHYLGENE INC. (CA) 2013-03-19 US disclosed
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE FMR LLC 2011-08-11 US disclosed
US-20080207590-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-08-28 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 (5 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-20080207590-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC11 ALDH1A1 540/4885TSHR 3882/4885SMN1; SMN2 4142/4885
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 ALDH1A1 1127/4885TSHR 4037/4885SMN1; SMN2 1726/4885
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase HDAC5, KAT2A, HDAC1 ALDH1A1 1086/4885TSHR 4046/4885SMN1; SMN2 1482/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 ALDH1A1 235/4885TSHR 4500/4885SMN1; SMN2 3594/4885
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC11 ALDH1A1 540/4885TSHR 3882/4885SMN1; SMN2 4142/4885

“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.