SCHEMBL3138907

SCHEMBL3138907

CN(C)CC(=O)N(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PKM P14618 1/20 0.46
CYP3A4 P08684 2/20 0.46
ABCB11 O95342 1/20 0.46
CYP1A2 P05177 1/20 0.46
ADRA2A P08913 1/20 0.46
CYP2D6 P10635 1/20 0.46
CHRM1 P11229 1/20 0.46
TBXA2R P21731 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 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
SCHEMBL3142231 0.92 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL3131386 0.92 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL3128809 0.82 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL3138268 0.80 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL3138333 0.79 MEN1 (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL3140094 0.79 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL3135139 0.78 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL3051007 0.78 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL3147424 0.77 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL3139348 0.76 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ASMN1; SMN2POLB

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 ALDH1A1 565/4885MEN1 1020/4885KMT2A 984/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 ALDH1A1 265/4885MEN1 1851/4885KMT2A 1623/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 ALDH1A1 475/4885MEN1 3512/4885KMT2A 2349/4885

“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.