SCHEMBL4767706

SCHEMBL4767706

COc1ccc(-c2nnc(NC3CCN(Cc4ccc(OC5CCCCN(C)C5)cc4)CC3)c3cc(OC)ccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.47
DNMT3A Q9Y6K1 2/20 0.43
MCHR1 Q99705 6/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNH2 Q12809 2/20 0.41
EHMT1 Q9H9B1 2/20 0.41
EHMT2 Q96KQ7 4/20 0.41
KDM1A O60341 2/20 0.41
RCOR1 Q9UKL0 1/20 0.41
UTS2R Q9UKP6 1/20 0.41
CHKA P35790 1/20 0.40
NPC1 O15118 1/20 0.40
NSD2 O96028 1/20 0.40
MTOR P42345 1/20 0.40
RAB9A P51151 1/20 0.40
NSD3 Q9BZ95 1/20 0.40

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 SCHEMBL4118716 0.99 ACHE (0.46) ACHEDNMT3AMCHR1MEN1KMT2A
SCHEMBL4723726 0.93 ACHE (0.47) ACHEDNMT3AMCHR1MEN1KMT2A
Hydrochloric Acid SCHEMBL4129881 0.92 ACHE (0.47) ACHEDNMT3AMCHR1MEN1KMT2A
SCHEMBL4724833 0.91 ACHE (0.50) ACHEDNMT3AMCHR1MEN1KMT2A
Hydrochloric Acid SCHEMBL4125155 0.90 ACHE (0.49) ACHEDNMT3AMCHR1MEN1KMT2A
SCHEMBL5193700 0.88 ACHE (0.56) ACHEDNMT3AMCHR1MEN1KMT2A
Hydrochloric Acid SCHEMBL4838721 0.88 ACHE (0.55) ACHEDNMT3AMCHR1MEN1KMT2A
SCHEMBL5196850 0.88 ACHE (0.58) ACHEDNMT3AMCHR1MEN1KMT2A
Hydrochloric Acid SCHEMBL4841854 0.87 ACHE (0.57) ACHEDNMT3AMCHR1MEN1KMT2A
SCHEMBL4840150 0.84 ACHE (0.61) ACHEDNMT3AMCHR1MEN1KMT2A

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-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 2862/4885DNMT3A 3277/4885MCHR1 138/4885

“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.