SCHEMBL17064276

SCHEMBL17064276

O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(CCO)cc1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.75
KMT2A Q03164 8/20 0.69
MEN1 O00255 6/20 0.69
LMNA P02545 1/20 0.69
MAPK1 P28482 1/20 0.69
KDM4E B2RXH2 2/20 0.63
TDP1 Q9NUW8 1/20 0.63
ALDH1A1 P00352 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HPGD P15428 2/20 0.58
HDAC1 Q13547 1/20 0.58
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2D6 P10635 1/20 0.54
RECQL P46063 1/20 0.54
GFER P55789 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52

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 1.00 MAPT (0.75) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL17064293 0.93 MAPT (0.64) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL38665415 0.86 MAPT (0.78) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL27335572 0.86 MAPT (0.78) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL11195043 0.86 MAPT (0.78) MAPTKMT2AMEN1LMNAMAPK1
Sulfuric Acid SCHEMBL18421548 0.84 MAPT (0.66) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL9054468 0.83 MAPT (0.74) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL23054856 0.82 HDAC1 (0.70) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL28131562 0.81 MAPT (0.64) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL31447965 0.80 MAPT (0.70) MAPTKMT2AMEN1LMNAMAPK1

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 418/4885KMT2A 13/4885MEN1 4354/4885
US-20210009511-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) KDM1B, KDM2A, EHMT2 MAPT 418/4885KMT2A 13/4885MEN1 4354/4885
US-20170029366-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) KDM1B, KDM2A, EHMT2 MAPT 418/4885KMT2A 13/4885MEN1 4354/4885

“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.