SCHEMBL3810676

SCHEMBL3810676

CCCCCCCCCN(C)CCCCCCCCNC(=O)c1c[nH]c2c(Cl)cccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.57
▸ HDAC3 O15379 3/20 0.57
▸ NR4A2 P43354 1/20 0.49
▸ HPGD P15428 2/20 0.48
▸ SIGMAR1 Q99720 2/20 0.46
▸ TMEM97 Q5BJF2 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ NAAA Q02083 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 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
SCHEMBL3814071 0.80 ALOX15 (0.50) HDAC1HDAC3NR4A2HPGDSIGMAR1
SCHEMBL3808467 0.80 RAB9A (0.56) HDAC1HDAC3HPGDALDH1A1NAAA
SCHEMBL3806226 0.79 HPGD (0.46) HDAC1HPGDSIGMAR1TMEM97ALDH1A1
SCHEMBL3810459 0.77 NAAA (0.54) HDAC1HDAC3HPGDALDH1A1NAAA
SCHEMBL19373379 0.77 SLC6A4 (0.42) HDAC1HDAC3NR4A2HPGDMEN1
SCHEMBL16596188 0.74 HDAC1 (0.71) HDAC1HDAC3HPGDNAAAHDAC2
SCHEMBL13715721 0.74 NR4A2 (0.62) HDAC1HDAC3NR4A2ALDH1A1MEN1
SCHEMBL8207967 0.72 HPGD (0.88) HDAC1HDAC3HPGDSIGMAR1ALDH1A1
SCHEMBL10961330 0.72 HPGD (0.88) HDAC1HDAC3HPGDSIGMAR1ALDH1A1
SCHEMBL3810079 0.70 MTNR1A (0.69) MEN1KMT2APTGS2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170266161-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR MAKING THE SAME SIGNUM BIOSCIENCES, INC. (US) 2017-09-21 — — US disclosed
US-9486441-B2 Compounds, compositions and methods for making the same SIGNUM BIOSCIENCES, INC. (US) 2016-11-08 — — US disclosed
US-9486441-B2 Compounds, compositions and methods for making the same SIGNUM BIOSCIENCES, INC. (US) 2016-11-08 — — US disclosed
WO-2009132051-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR MAKING THE SAME SIGNUM BIOSCIENCES, INC. (US) 2009-10-29 — — WO disclosed
US-20090264496-A1 Compounds, Compositions and Methods for Making the Same SIGNUM BIOSCIENCES, INC. 2009-10-22 — — US disclosed
US-20090264496-A1 Compounds, Compositions and Methods for Making the Same SIGNUM BIOSCIENCES, INC. 2009-10-22 — — US disclosed
US-20090264496-A1 Compounds, Compositions and Methods for Making the Same SIGNUM BIOSCIENCES, INC. 2009-10-22 — — 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-20090264496-A1 Compounds, Compositions and Methods for Making the Same PPP2CA, PPP4C, PPP6C HDAC1 137/4885HDAC3 196/4885NR4A2 2552/4885
US-20170266161-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR MAKING THE SAME PPP2CA, PPP4C, PPP6C HDAC1 137/4885HDAC3 196/4885NR4A2 2552/4885

“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.

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