SCHEMBL4838622

SCHEMBL4838622

COc1cccc(-c2nnc(NC3CCN(Cc4ccccc4)CC3)c3cc(OC)ccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 2/20 0.58
MCHR1 Q99705 1/20 0.52
SIGMAR1 Q99720 1/20 0.51
NSD2 O96028 6/20 0.51
EHMT2 Q96KQ7 7/20 0.51
HDAC3 O15379 4/20 0.51
HDAC4 P56524 4/20 0.51
HDAC1 Q13547 4/20 0.51
HDAC7 Q8WUI4 4/20 0.51
HDAC2 Q92769 4/20 0.51
HDAC10 Q969S8 4/20 0.51
HDAC11 Q96DB2 4/20 0.51
HDAC8 Q9BY41 4/20 0.51
HDAC6 Q9UBN7 4/20 0.51
HDAC9 Q9UKV0 4/20 0.51
HDAC5 Q9UQL6 4/20 0.51
EHMT1 Q9H9B1 1/20 0.51
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL4124605 0.93 DNMT3A (0.60) DNMT3AMCHR1NSD2EHMT2HDAC3
SCHEMBL4837345 0.91 MCHR1 (0.53) DNMT3AMCHR1EHMT2KMT2ALMNA
SCHEMBL5196850 0.88 ACHE (0.58) DNMT3AMCHR1NSD2EHMT2HDAC3
SCHEMBL4838974 0.87 DNMT3A (0.54) DNMT3AMCHR1NSD2EHMT2HDAC3
Hydrochloric Acid SCHEMBL4841854 0.87 ACHE (0.57) DNMT3AMCHR1NSD2EHMT2HDAC3
SCHEMBL5194216 0.86 DNMT3A (0.53) DNMT3AMCHR1NSD2EHMT2HDAC3
SCHEMBL4130246 0.85 DNMT3A (0.62) DNMT3AMCHR1NSD2EHMT2HDAC3
SCHEMBL4834455 0.85 DNMT3A (0.56) DNMT3AMCHR1NSD2EHMT2HDAC3
SCHEMBL4840366 0.85 ACHE (0.54) DNMT3AMCHR1NSD2EHMT2HDAC3
Hydrochloric Acid SCHEMBL4833934 0.85 DNMT3A (0.52) DNMT3AMCHR1NSD2EHMT2HDAC3

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-7423030-B2 1-amino-phthalazine derivatives, the preparation and the therapeutic use thereof SANOFI-AVENTIS (FR) 2008-09-09 US disclosed
EP-1737840-B1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-09-12 EP disclosed
US-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-05-03 US disclosed
EP-1737840-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-01-03 EP disclosed
WO-2005103033-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2005-11-03 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 (1 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-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF CYP11B2, CYP11B1, GOT2 DNMT3A 4219/4885MCHR1 1335/4885SIGMAR1 1593/4885

“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.