SCHEMBL7034814

SCHEMBL7034814

[2H]C([2H])(C(=O)Nc1ccccc1N)C([2H])([2H])C([2H])([2H])N(C)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.52
HDAC3 O15379 11/20 0.47
NCOR2 Q9Y618 7/20 0.47
HDAC2 Q92769 11/20 0.44
HDAC10 Q969S8 6/20 0.40
HDAC6 Q9UBN7 6/20 0.40
HDAC4 P56524 5/20 0.40
HDAC7 Q8WUI4 5/20 0.40
HDAC11 Q96DB2 5/20 0.40
HDAC8 Q9BY41 5/20 0.40
HDAC9 Q9UKV0 5/20 0.40
HDAC5 Q9UQL6 5/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PRSS1 P07477 1/20 0.38
TPSAB1 Q15661 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
SCHEMBL2382571 0.94 HDAC1 (0.48) HDAC1HDAC3NCOR2HDAC2HDAC10
SCHEMBL7035699 0.80 ALDH1A1 (0.47) ALDH1A1HPGDCYP3A4
SCHEMBL15753134 0.79 HDAC1 (0.46) HDAC1HDAC3NCOR2HDAC2HDAC10
SCHEMBL7336752 0.75 SHMT2 (0.51) HDAC1HDAC3NCOR2NPC1RAB9A
SCHEMBL2370574 0.73 ALDH1A1 (0.44) NPC1RAB9AALDH1A1HPGDCYP3A4
SCHEMBL1329140 0.71 HDAC1 (0.52) HDAC1NPC1RAB9AALDH1A1HPGD
SCHEMBL3811403 0.71 NPC1 (0.68) HDAC1HDAC3NCOR2HDAC2HDAC10
Hydrochloric Acid SCHEMBL8696150 0.70 HDAC1 (0.51) HDAC1NPC1RAB9AALDH1A1HPGD
Hydrochloric Acid SCHEMBL1880511 0.70 HDAC1 (0.51) HDAC1NPC1RAB9AALDH1A1HPGD
SCHEMBL14433363 0.68 HDAC1 (0.52) HDAC1NPC1RAB9AALDH1A1PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575361-B2 Tetrahydronaphthalene derivatives CONCERT PHARMACEUTICALS INC. (US) 2013-11-05 US disclosed
US-8513434-B2 Tetrahydronaphthalene derivatives CONCERT PHARMACEUTICALS INC. (US) 2013-08-20 US disclosed
US-20120122944-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2012-05-17 US disclosed
US-20110237635-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2011-09-29 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 (2 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-20120122944-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1H, CACNA1I, CACNA1G HDAC1 3742/4885HDAC3 3560/4885NCOR2 1743/4885
US-20110237635-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1H, CACNA1I, CACNA1G HDAC1 3742/4885HDAC3 3560/4885NCOR2 1743/4885

“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.