SCHEMBL4724835

SCHEMBL4724835

COc1ccc2c(C(F)(F)F)nnc(NC3CCN(Cc4ccc(OCCCO)cc4)CC3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
DNMT3A Q9Y6K1 3/20 0.46
HDAC3 O15379 5/20 0.44
HDAC1 Q13547 5/20 0.44
HDAC2 Q92769 5/20 0.44
HDAC10 Q969S8 5/20 0.44
HDAC11 Q96DB2 5/20 0.44
HDAC8 Q9BY41 5/20 0.44
HDAC6 Q9UBN7 5/20 0.44
EHMT2 Q96KQ7 5/20 0.44
HDAC4 P56524 4/20 0.44
HDAC7 Q8WUI4 4/20 0.44
HDAC9 Q9UKV0 4/20 0.44
HDAC5 Q9UQL6 4/20 0.44
EHMT1 Q9H9B1 1/20 0.44
MCHR1 Q99705 6/20 0.43
ACHE P22303 1/20 0.42
DNMT1 P26358 1/20 0.41
GSK3B P49841 1/20 0.41

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 SCHEMBL4124345 0.99 MEN1 (0.47) MEN1KMT2ADNMT3AHDAC3HDAC1
SCHEMBL4724199 0.88 DNMT3A (0.48) MEN1KMT2ADNMT3AHDAC3HDAC1
Hydrochloric Acid SCHEMBL4122447 0.87 DNMT3A (0.47) MEN1KMT2ADNMT3AHDAC3HDAC1
SCHEMBL4122853 0.87 DNMT3A (0.59) MEN1KMT2ADNMT3AHDAC3HDAC1
SCHEMBL4724966 0.86 ACHE (0.50) MEN1KMT2ADNMT3AHDAC3HDAC1
SCHEMBL4722646 0.86 DNMT3A (0.46) MEN1KMT2ADNMT3AHDAC3HDAC1
Hydrochloric Acid SCHEMBL4124131 0.85 ACHE (0.49) MEN1KMT2ADNMT3AHDAC3HDAC1
Hydrochloric Acid SCHEMBL4122709 0.85 DNMT3A (0.46) MEN1KMT2ADNMT3AHDAC3HDAC1
SCHEMBL4724839 0.83 MCHR1 (0.51) MEN1KMT2ADNMT3AHDAC3HDAC1
Hydrochloric Acid SCHEMBL4117742 0.82 MCHR1 (0.51) MEN1KMT2ADNMT3AHDAC3HDAC1

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 MEN1 2129/4885KMT2A 1253/4885DNMT3A 3277/4885

“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.