SCHEMBL4765657

SCHEMBL4765657

COc1ccc(-c2nnc(NC3CCN(Cc4ccc(OCCN5CCOCC5)cc4)CC3)c3cc(OC)ccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.47
KDM1A O60341 1/20 0.47
EHMT2 Q96KQ7 1/20 0.47
RCOR1 Q9UKL0 1/20 0.47
DNMT3A Q9Y6K1 2/20 0.46
SYK P43405 1/20 0.45
MCHR1 Q99705 2/20 0.45
HTR1A P08908 2/20 0.45
DRD2 P14416 2/20 0.45
HTR2A P28223 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
BCHE P06276 1/20 0.44
UBE2N P61088 1/20 0.44
CSF1R P07333 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HIF1A Q16665 1/20 0.43

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 SCHEMBL4124956 0.99 ACHE (0.47) ACHEKDM1AEHMT2RCOR1DNMT3A
SCHEMBL4767566 0.93 ESR1 (0.50) ACHEKDM1AEHMT2RCOR1DNMT3A
Hydrochloric Acid SCHEMBL4129891 0.92 ESR1 (0.49) ACHEKDM1AEHMT2RCOR1DNMT3A
SCHEMBL4764469 0.92 ESR1 (0.51) ACHEKDM1AEHMT2RCOR1DNMT3A
Hydrochloric Acid SCHEMBL4117068 0.91 ESR1 (0.51) ACHEKDM1AEHMT2RCOR1DNMT3A
SCHEMBL5196850 0.88 ACHE (0.58) ACHEEHMT2DNMT3AMCHR1MEN1
SCHEMBL4764004 0.88 HRH3 (0.51) ACHEKDM1AEHMT2RCOR1HTR1A
SCHEMBL4763716 0.88 ACHE (0.51) ACHEKDM1AEHMT2RCOR1DNMT3A
Hydrochloric Acid SCHEMBL4841854 0.87 ACHE (0.57) ACHEEHMT2DNMT3AMCHR1MEN1
Hydrochloric Acid SCHEMBL4130821 0.87 HRH3 (0.50) ACHEKDM1AEHMT2RCOR1HTR1A

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 2862/4885KDM1A 982/4885EHMT2 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.