SCHEMBL4763144

SCHEMBL4763144

COc1ccc2c(C)nnc(NC3CCN(Cc4ccc(OC5CCCN(C)CC5)cc4)CC3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 2/20 0.46
EHMT1 Q9H9B1 4/20 0.45
EHMT2 Q96KQ7 8/20 0.45
MCHR1 Q99705 4/20 0.45
KDM1A O60341 2/20 0.45
RCOR1 Q9UKL0 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44
NSD2 O96028 3/20 0.43
NSD3 Q9BZ95 3/20 0.43
NPC1 O15118 1/20 0.43
MTOR P42345 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
EZH2 Q15910 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 SCHEMBL4118824 0.99 DNMT3A (0.45) DNMT3AEHMT1EHMT2MCHR1KDM1A
SCHEMBL4766834 0.92 MCHR1 (0.49) EHMT2MCHR1KDM1ARCOR1HRH3
Hydrochloric Acid SCHEMBL4129888 0.91 MCHR1 (0.48) EHMT1EHMT2MCHR1KDM1ARCOR1
SCHEMBL4724745 0.90 DNMT3A (0.44) DNMT3AEHMT1EHMT2MCHR1KDM1A
SCHEMBL4723726 0.90 ACHE (0.47) DNMT3AEHMT1EHMT2MCHR1KDM1A
Hydrochloric Acid SCHEMBL4124308 0.89 DNMT3A (0.43) DNMT3AEHMT1EHMT2MCHR1KDM1A
Hydrochloric Acid SCHEMBL4129881 0.89 ACHE (0.47) DNMT3AEHMT1EHMT2MCHR1KDM1A
SCHEMBL4724833 0.86 ACHE (0.50) DNMT3AEHMT1EHMT2MCHR1KDM1A
Hydrochloric Acid SCHEMBL4125155 0.85 ACHE (0.49) DNMT3AEHMT1EHMT2MCHR1KDM1A
SCHEMBL4767706 0.84 ACHE (0.47) DNMT3AEHMT1EHMT2MCHR1KDM1A

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 4 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

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 DNMT3A 3277/4885EHMT1 889/4885EHMT2 993/4885

“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.