SCHEMBL3565228

SCHEMBL3565228

O=C(O)NCCNc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.54
MAPT P10636 4/20 0.54
ALDH1A1 P00352 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
HDAC4 P56524 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43

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
SCHEMBL5841008 0.83 EPHX1 (0.51) EPHX1MAPTALDH1A1L3MBTL1MTNR1A
SCHEMBL14279809 0.83 EPHX1 (0.51) EPHX1MAPTALDH1A1L3MBTL1HTT
SCHEMBL5841015 0.83 EPHX1 (0.51) EPHX1MAPTALDH1A1L3MBTL1POLB
SCHEMBL11843114 0.83 MTNR1A (0.61) EPHX1MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL11437199 0.82 EPHX1 (0.50) EPHX1MAPTALDH1A1L3MBTL1HTT
SCHEMBL4484114 0.82 MEN1 (0.47) EPHX1MAPTALDH1A1SMN1; SMN2CYP3A4
SCHEMBL8200040 0.82 BCHE (0.49) EPHX1ALDH1A1L3MBTL1HTTKDM4E
SCHEMBL7994942 0.82 MAPT (0.45) EPHX1MAPTALDH1A1L3MBTL1HTT
SCHEMBL3050071 0.82 LMNA (0.62) MAPTALDH1A1LMNAPOLBHDAC4
SCHEMBL4474317 0.82 MAPT (0.43) EPHX1MAPTALDH1A1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2895482-B1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2016-10-19 EP claimed
WO-2023173124-A1 NOVEL PHOSPHOINOSITIDE 3-KINASE (PI3K) INHIBITOR, COMPOSITIONS COMPRISING THE SAME, METHODS OF MAKING, AND METHODS OF TREATING A DISEASE CHENG KUN (US) 2023-09-14 WO disclosed
US-20230286913-A1 INHIBITORS OF NITRIC OXIDE SYNTHASES (NOS), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF Gacter Inc. (US) 2023-09-14 US disclosed
WO-2021198191-A1 QUINAZOLINONE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER ENYO PHARMA (FR) 2021-10-07 WO disclosed
US-7671072-B2 Aminopyrazole derivatives as GSK-3 inhibitors PFIZER INC. (US) 2010-03-02 US disclosed
WO-2008033389-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2008-03-20 WO disclosed
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors BENBOW JOHN W 2007-11-29 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 (2 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-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP EPHX1 2902/4885MAPT 158/4885ALDH1A1 1036/4885
US-20230286913-A1 INHIBITORS OF NITRIC OXIDE SYNTHASES (NOS), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF NOS1, NOS3, NOS2 EPHX1 1397/4885MAPT 2248/4885ALDH1A1 2994/4885

“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.