SCHEMBL17064294

SCHEMBL17064294

O=C(CCCc1ccccc1)N(Cc1ccccc1)c1ccc(CCO)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.57
MLYCD O95822 1/20 0.54
LTB4R2 Q9NPC1 13/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GLA P06280 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
PAX8 Q06710 1/20 0.51
AGTR1 P30556 1/20 0.51
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47

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
SCHEMBL8013230 0.86 ALOX5 (0.57) ALOX5MLYCDLTB4R2SMN1; SMN2NPC1
SCHEMBL8016637 0.83 ALOX5 (0.57) ALOX5MLYCDLTB4R2SMN1; SMN2NPC1
Oxalic Acid SCHEMBL18421308 0.82 KDM1A (0.55) ALOX5MLYCDLTB4R2SMN1; SMN2NPC1
SCHEMBL17064249 0.81 ALOX5 (0.55) ALOX5MLYCDSMN1; SMN2NPC1ALDH1A1
SCHEMBL17064298 0.77 MLYCD (0.47) ALOX5MLYCDLTB4R2HTTAGTR1
SCHEMBL12679655 0.77 ALDH1A1 (0.63) ALOX5MLYCDLTB4R2SMN1; SMN2NPC1
SCHEMBL12679653 0.77 ALDH1A1 (0.63) ALOX5MLYCDLTB4R2SMN1; SMN2NPC1
SCHEMBL4558654 0.76 MLYCD (0.58) ALOX5MLYCDLTB4R2SMN1; SMN2NPC1
SCHEMBL12679667 0.76 ALDH1A1 (0.61) ALOX5MLYCDLTB4R2SMN1; SMN2NPC1
SCHEMBL12679676 0.76 ALDH1A1 (0.61) ALOX5MLYCDLTB4R2SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11565994-B2 Inhibitors of histone lysine specific demethylase (LSD1) and histone deacetylases (HDACS) THE JOHNS HOPKINS UNIVERSITY (US) 2023-01-31 US disclosed
US-20210009511-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) THE JOHNS HOPKINS UNIVERSITY 2021-01-14 US disclosed
US-20170029366-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) THE JOHNS HOPKINS UNIVERSITY (US) 2017-02-02 US disclosed
EP-3114109-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) The Johns Hopkins University (US) 2017-01-11 EP disclosed
WO-2015134973-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) THE JOHNS HOPKINS UNIVERSITY (US) 2015-09-11 WO 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-11565994-B2 Inhibitors of histone lysine specific demethylase (LSD1) and histone deacetylases (HDACS) KDM1B, KDM2A, EHMT2 ALOX5 1706/4885MLYCD 1045/4885LTB4R2 3697/4885
US-20210009511-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) KDM1B, KDM2A, EHMT2 ALOX5 1706/4885MLYCD 1045/4885LTB4R2 3697/4885
US-20170029366-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) KDM1B, KDM2A, EHMT2 ALOX5 1706/4885MLYCD 1045/4885LTB4R2 3697/4885

“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.