SCHEMBL4025072

SCHEMBL4025072

COC(=O)c1ccccc1NCc1nnn(C)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
GLA P06280 1/20 0.52
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.48
ATM Q13315 1/20 0.48
MYC P01106 1/20 0.47
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
ALOX15 P16050 2/20 0.44
MAPT P10636 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 4/20 0.44
SCD O00767 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL4030002 0.89 ADRA1D (0.54) KDM4EADRA1DADRA1AADRA1BKMT2A
SCHEMBL4023277 0.76 ADRA2B (0.38) TP53GAAHSD17B10
SCHEMBL22854454 0.74 ALDH1A1 (0.68) KDM4EGLAADRA1DADRA1AADRA1B
SCHEMBL6318031 0.73 KDM4E (0.72) KDM4EGLAADRA1DADRA1AADRA1B
SCHEMBL1715126 0.72 MAPT (0.60) KDM4EGLAADRA1DADRA1AADRA1B
SCHEMBL1714816 0.72 ALDH1A1 (0.71) KDM4EGLAADRA1DADRA1AADRA1B
SCHEMBL1903514 0.72 KDM4E (0.70) KDM4EGLAADRA1DADRA1AADRA1B
SCHEMBL31629989 0.71 KDM4E (0.59) KDM4EGLAADRA1DADRA1AADRA1B
SCHEMBL4839338 0.70 KDM4E (0.68) KDM4EGLAADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL27603991 0.70 KDM4E (0.68) KDM4EGLAADRA1DADRA1AADRA1B

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-1499610-B1 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING TETRAZOLE, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HITEK CO LTD (KR) 2009-01-21 EP disclosed
US-7414068-B2 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2008-08-19 US disclosed
EP-1499610-A4 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING TETRAZOLE, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2006-05-24 EP disclosed
US-20060035948-A1 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2006-02-16 US disclosed
EP-1499610-A2 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING TETRAZOLE, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dongbu Hannong Chemical Co., Ltd. (KR) 2005-01-26 EP disclosed
WO-2003084464-A2 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING TETRAZOLE, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO., LTD (KR) 2003-10-16 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-20060035948-A1 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them TH, TNNI3, NOS3 KDM4E 936/4885GLA 3672/4885ADRA1D 1665/4885

“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.