SCHEMBL4764469

SCHEMBL4764469

COc1ccc(-c2nnc(NC3CCN(Cc4ccc(OCCN5CCCCC5)cc4)CC3)c3cc(OC)ccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.51
ACHE P22303 3/20 0.49
HRH3 Q9Y5N1 5/20 0.47
LTA4H P09960 1/20 0.45
KDM1A O60341 1/20 0.45
EHMT2 Q96KQ7 1/20 0.45
RCOR1 Q9UKL0 1/20 0.45
DNMT3A Q9Y6K1 2/20 0.45
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
ADAM17 P78536 1/20 0.45
ESR2 Q92731 2/20 0.45
MCHR1 Q99705 1/20 0.44

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 SCHEMBL4117068 0.99 ESR1 (0.51) ESR1ACHEHRH3LTA4HKDM1A
SCHEMBL4767566 0.99 ESR1 (0.50) ESR1ACHEHRH3LTA4HKDM1A
Hydrochloric Acid SCHEMBL4129891 0.98 ESR1 (0.49) ESR1ACHEHRH3LTA4HKDM1A
SCHEMBL4764004 0.96 HRH3 (0.51) ACHEHRH3KDM1AEHMT2RCOR1
Hydrochloric Acid SCHEMBL4130821 0.95 HRH3 (0.50) ACHEHRH3KDM1AEHMT2RCOR1
SCHEMBL5193700 0.92 ACHE (0.56) ACHEKDM1AEHMT2RCOR1DNMT3A
SCHEMBL4765657 0.92 ACHE (0.47) ESR1ACHEHRH3KDM1AEHMT2
Hydrochloric Acid SCHEMBL4838721 0.92 ACHE (0.55) ACHEKDM1AEHMT2RCOR1DNMT3A
Hydrochloric Acid SCHEMBL4124956 0.91 ACHE (0.47) ESR1ACHEHRH3KDM1AEHMT2
SCHEMBL5196850 0.90 ACHE (0.58) ACHEEHMT2DNMT3AMCHR1

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 6 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

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 ESR1 2142/4885ACHE 2862/4885HRH3 165/4885

“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.