SCHEMBL17064249

SCHEMBL17064249

CN(C(=O)CCCc1ccccc1)c1ccc(CCO)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.55
MLYCD O95822 1/20 0.53
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MCL1 Q07820 1/20 0.50
MAOB P27338 1/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49

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
SCHEMBL8696461 0.87 ALOX5 (0.56) ALOX5MLYCDMAPK1SMN1; SMN2NPC1
SCHEMBL8695755 0.82 ALOX5 (0.63) ALOX5MLYCDMAPK1SMN1; SMN2NPC1
SCHEMBL2201636 0.82 ALOX5 (0.55) ALOX5MLYCDMAPK1SMN1; SMN2NPC1
Oxalic Acid SCHEMBL18421966 0.81 KDM1A (0.56) ALOX5MLYCDMAPK1SMN1; SMN2NPC1
SCHEMBL17064294 0.81 ALOX5 (0.57) ALOX5MLYCDMAPK1SMN1; SMN2NPC1
SCHEMBL674149 0.81 HDAC8 (0.62) ALOX5MLYCDMAPK1SMN1; SMN2NPC1
SCHEMBL8010609 0.80 ALOX5 (0.60) ALOX5MLYCDMAPK1SMN1; SMN2NPC1
SCHEMBL31329279 0.80 ALOX5 (0.69) ALOX5NPC1RAB9AALDH1A1KMT2A
SCHEMBL8696569 0.79 ALOX5 (0.46) ALOX5MLYCDMAPK1SMN1; SMN2NPC1
SCHEMBL4064688 0.79 MLYCD (0.67) ALOX5MLYCDNPC1RAB9AALDH1A1

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 6 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
CN-106458856-A Inhibitors of histone lysine specific demethylase (lsd1) and histone deacetylases (hdacs) 约翰霍普金斯大学 2017-02-22 CN 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 1045/4885MAPK1 1665/4885
US-20210009511-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) KDM1B, KDM2A, EHMT2 ALOX5 1706/4885MLYCD 1045/4885MAPK1 1665/4885
US-20170029366-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) KDM1B, KDM2A, EHMT2 ALOX5 1706/4885MLYCD 1045/4885MAPK1 1665/4885

“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.