SCHEMBL17064293

SCHEMBL17064293

O=C(CCc1c[nH]c2ccccc12)Nc1ccc(CCO)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.64
ALDH1A1 P00352 2/20 0.61
GAA P10253 1/20 0.61
GFER P55789 1/20 0.61
HDAC1 Q13547 1/20 0.60
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
LMNA P02545 1/20 0.58
MAPK1 P28482 1/20 0.58
POLB P06746 2/20 0.57
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
RECQL P46063 1/20 0.56
HRH3 Q9Y5N1 2/20 0.55
KDM4E B2RXH2 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL30150728 0.93 MAPT (0.75) MAPTALDH1A1GFERHDAC1KMT2A
SCHEMBL17064276 0.93 MAPT (0.75) MAPTALDH1A1GFERHDAC1KMT2A
SCHEMBL23054856 0.89 HDAC1 (0.70) MAPTALDH1A1GAAGFERHDAC1
SCHEMBL31447965 0.87 MAPT (0.70) MAPTALDH1A1GAAHDAC1KMT2A
SCHEMBL28131562 0.87 MAPT (0.64) MAPTALDH1A1GAAGFERHDAC1
SCHEMBL12782106 0.85 MAPT (0.67) MAPTALDH1A1GAAHDAC1KMT2A
SCHEMBL27335161 0.85 GOT1 (0.70) MAPTALDH1A1GAAHDAC1KMT2A
Sulfuric Acid SCHEMBL18422070 0.83 GFER (0.59) MAPTALDH1A1GAAGFERHDAC1
SCHEMBL21082948 0.82 KMT2A (0.72) MAPTALDH1A1GAAHDAC1KMT2A
SCHEMBL12782281 0.81 MAPT (0.61) MAPTALDH1A1GAAHDAC1KMT2A

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 MAPT 418/4885ALDH1A1 1450/4885GAA 292/4885
US-20210009511-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) KDM1B, KDM2A, EHMT2 MAPT 418/4885ALDH1A1 1450/4885GAA 292/4885
US-20170029366-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) KDM1B, KDM2A, EHMT2 MAPT 418/4885ALDH1A1 1450/4885GAA 292/4885

“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.