SCHEMBL4122703

SCHEMBL4122703

O=Cc1ccc(OCCCN2CCOCC2)c(F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.64
EPHX2 P34913 6/20 0.51
USP2 O75604 2/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 1/20 0.48
HTR2A P28223 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 2/20 0.47
HRH3 Q9Y5N1 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
SCN1A P35498 1/20 0.47
HTR2B P41595 1/20 0.47
KCNH2 Q12809 1/20 0.47
SCN2A Q99250 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
SCN3A Q9NY46 1/20 0.47
HTR1A P08908 2/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL4125248 0.90 KDM4E (0.53) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL6332011 0.88 KDM4E (0.52) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL3428960 0.87 ALDH1A1 (0.49) KDM4EUSP2CYP1A2CYP2D6CYP2C19
SCHEMBL25470949 0.85 ALDH1A1 (0.56) KDM4EEPHX2CYP1A2CYP2D6CYP2C19
SCHEMBL3435152 0.84 ALDH1A1 (0.58) KDM4ECYP2D6ALDH1A1HTR2BTSHR
SCHEMBL14216877 0.84 ALDH1A1 (0.64) KDM4ECYP2D6ALDH1A1TSHRLMNA
SCHEMBL30462836 0.84 ALDH1A1 (0.64) KDM4ECYP2D6ALDH1A1TSHRLMNA
Hydrochloric Acid SCHEMBL5692430 0.82 ALDH1A1 (0.63) KDM4ECYP2D6ALDH1A1TSHRLMNA
SCHEMBL17921473 0.82 HTR1A (0.52) KDM4EUSP2CYP1A2CYP2D6HTR2A
SCHEMBL8891214 0.82 LTA4H (0.60) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1

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
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
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 KDM4E 1737/4885EPHX2 2576/4885USP2 3627/4885

“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.