SCHEMBL4723726

SCHEMBL4723726

COc1ccc(-c2nnc(NC3CCN(Cc4ccc(OC5CCCN(C)CC5)cc4)CC3)c3cc(OC)ccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.47
MCHR1 Q99705 5/20 0.45
KCNH2 Q12809 2/20 0.45
DNMT3A Q9Y6K1 2/20 0.44
EHMT1 Q9H9B1 3/20 0.44
EHMT2 Q96KQ7 5/20 0.43
KDM1A O60341 2/20 0.43
RCOR1 Q9UKL0 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CHKA P35790 1/20 0.43
NSD2 O96028 2/20 0.42
NSD3 Q9BZ95 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
NPC1 O15118 1/20 0.42
MTOR P42345 1/20 0.42
RAB9A P51151 1/20 0.42

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
Hydrochloric Acid SCHEMBL4129881 0.99 ACHE (0.47) ACHEMCHR1KCNH2DNMT3AEHMT1
SCHEMBL4724833 0.97 ACHE (0.50) ACHEMCHR1KCNH2DNMT3AEHMT1
Hydrochloric Acid SCHEMBL4125155 0.96 ACHE (0.49) ACHEMCHR1KCNH2DNMT3AEHMT1
SCHEMBL4767706 0.93 ACHE (0.47) ACHEMCHR1KCNH2DNMT3AEHMT1
Hydrochloric Acid SCHEMBL4118716 0.92 ACHE (0.46) ACHEMCHR1KCNH2DNMT3AEHMT1
SCHEMBL4763144 0.90 DNMT3A (0.46) MCHR1DNMT3AEHMT1EHMT2KDM1A
Hydrochloric Acid SCHEMBL4118824 0.89 DNMT3A (0.45) MCHR1DNMT3AEHMT1EHMT2KDM1A
SCHEMBL5196850 0.88 ACHE (0.58) ACHEMCHR1DNMT3AEHMT1EHMT2
SCHEMBL5193700 0.87 ACHE (0.56) ACHEMCHR1DNMT3AEHMT2KDM1A
Hydrochloric Acid SCHEMBL4841854 0.87 ACHE (0.57) ACHEMCHR1DNMT3AEHMT1EHMT2

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-1940823-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-07-09 EP claimed
WO-2007042660-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-04-19 WO claimed
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
EP-1940823-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-07-09 EP disclosed
WO-2007042660-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-04-19 WO disclosed
WO-2007042660-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-04-19 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-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AGTR1, AGTR2, AHR ACHE 2862/4885MCHR1 138/4885KCNH2 1092/4885

“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.