SCHEMBL2382571

SCHEMBL2382571

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.48
HDAC3 O15379 10/20 0.46
NCOR2 Q9Y618 6/20 0.46
HDAC2 Q92769 10/20 0.43
HDAC10 Q969S8 6/20 0.39
HDAC6 Q9UBN7 6/20 0.39
HDAC4 P56524 5/20 0.39
HDAC7 Q8WUI4 5/20 0.39
HDAC11 Q96DB2 5/20 0.39
HDAC8 Q9BY41 5/20 0.39
HDAC9 Q9UKV0 5/20 0.39
HDAC5 Q9UQL6 5/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.37
KDM1A O60341 1/20 0.37

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
SCHEMBL7034814 0.94 HDAC1 (0.52) HDAC1HDAC3NCOR2HDAC2HDAC10
SCHEMBL15753134 0.84 HDAC1 (0.46) HDAC1HDAC3NCOR2HDAC2HDAC10
SCHEMBL2370574 0.81 ALDH1A1 (0.44) RAB9ANPC1ALDH1A1HPGDCYP3A4
SCHEMBL7035699 0.73 ALDH1A1 (0.47) ALDH1A1HPGDCYP3A4KMT2A
SCHEMBL7336752 0.71 SHMT2 (0.51) HDAC1HDAC3NCOR2RAB9ANPC1
SCHEMBL3811403 0.70 NPC1 (0.68) HDAC1HDAC3NCOR2HDAC2HDAC10
SCHEMBL31473983 0.68 ALDH1A1 (0.49) RAB9ANPC1ALDH1A1HPGDKMT2A
SCHEMBL1329140 0.67 HDAC1 (0.52) HDAC1RAB9ANPC1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL8696150 0.66 HDAC1 (0.51) HDAC1RAB9ANPC1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL1880511 0.66 HDAC1 (0.51) HDAC1RAB9ANPC1ALDH1A1HPGD

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.