SCHEMBL3139370

SCHEMBL3139370

CN(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cccc(Oc2ccc(N)cn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 5/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.49
LMNA P02545 4/20 0.48
TDP1 Q9NUW8 3/20 0.47
CYP3A4 P08684 2/20 0.47
ABCB11 O95342 1/20 0.47
CYP1A2 P05177 1/20 0.47
ADRA2A P08913 1/20 0.47
CYP2D6 P10635 1/20 0.47
CHRM1 P11229 1/20 0.47
TBXA2R P21731 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
CYP2C19 P33261 1/20 0.47
ADRA1A P35348 1/20 0.47

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
SCHEMBL3142788 0.87 SMN1; SMN2 (0.51) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3138333 0.83 MEN1 (0.56) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3139361 0.82 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3134835 0.81 KMT2A (0.60) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3142160 0.81 LMNA (0.55) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL3134931 0.80 CYP3A4 (0.56) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3143714 0.80 ALDH1A1 (0.59) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5168068 0.78 MCHR1 (0.38) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL3058663 0.77 MAPT (0.49) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3142939 0.77 LMNA (0.48) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US 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 (3 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 KDM4E 1219/4885ALDH1A1 565/4885SMN1; SMN2 4313/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 KDM4E 2010/4885ALDH1A1 265/4885SMN1; SMN2 3224/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 KDM4E 988/4885ALDH1A1 475/4885SMN1; SMN2 3077/4885

“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.