SCHEMBL3814071

SCHEMBL3814071

CCCCCCCCCN(C)CCCCCCCCNC(=O)c1c[nH]c2cc(Cl)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.50
▸ PYGL P06737 1/20 0.50
▸ NR4A2 P43354 1/20 0.48
▸ TMEM97 Q5BJF2 2/20 0.47
▸ SIGMAR1 Q99720 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ HDAC1 Q13547 3/20 0.46
▸ HDAC3 O15379 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ BCHE P06276 4/20 0.45
▸ ACHE P22303 4/20 0.45
▸ HDAC2 Q92769 2/20 0.44
▸ HDAC4 P56524 1/20 0.44

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
SCHEMBL3810459 0.82 NAAA (0.54) PYGLKDM4EUSP2ALDH1A1HPGD
SCHEMBL3810676 0.80 HDAC1 (0.57) NR4A2TMEM97SIGMAR1KDM4EUSP2
SCHEMBL16596188 0.76 HDAC1 (0.71) USP2HPGDHDAC1HDAC3MAPT
SCHEMBL11946915 0.75 POLB (0.58) PYGLNR4A2ALDH1A1HPGDHSD17B10
SCHEMBL11946602 0.74 KMT2A (0.59) PYGLNR4A2MAPTCNR1
SCHEMBL27795083 0.73 PYGL (0.62) PYGLKDM4EUSP2ALDH1A1HPGD
SCHEMBL20340804 0.72 POLB (0.78) ALOX15TMEM97SIGMAR1KDM4EALDH1A1
SCHEMBL13533538 0.71 NR4A2 (0.64) ALOX15PYGLNR4A2ALDH1A1MAPT
SCHEMBL11946603 0.71 NHERF1 (0.71) PYGLNR4A2HPGDPOLB
SCHEMBL3808224 0.71 MAPK1 (0.49) PYGLKDM4EALDH1A1HPGDITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10583119-B2 Compounds, compositions and methods for making the same SIGNUM BIOSCIENCES, INC. (US) 2020-03-10 — — US disclosed
US-20170266161-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR MAKING THE SAME SIGNUM BIOSCIENCES, INC. (US) 2017-09-21 — — US disclosed
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 (3 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 ALOX15 4125/4885PYGL 367/4885NR4A2 2552/4885
US-20170266161-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR MAKING THE SAME PPP2CA, PPP4C, PPP6C ALOX15 4125/4885PYGL 367/4885NR4A2 2552/4885
US-10583119-B2 Compounds, compositions and methods for making the same PPP2CA, PPP4C, PPP6C ALOX15 4125/4885PYGL 367/4885NR4A2 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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