SCHEMBL3128809

SCHEMBL3128809

Cc1cc(N(C)CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1Oc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 2/20 0.47
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 1/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL3138268 0.90 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL3142247 0.88 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTKDM4EMAPT
SCHEMBL3131386 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL3138907 0.82 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL12315670 0.82 SMN1; SMN2 (0.67) ALDH1A1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL3139348 0.81 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL3142788 0.81 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL3027602 0.81 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL5182005 0.81 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL3128730 0.80 ABCB1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
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
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 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 (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 565/4885SMN1; SMN2 4313/4885MEN1 1020/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 ALDH1A1 265/4885SMN1; SMN2 3224/4885MEN1 1851/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 ALDH1A1 475/4885SMN1; SMN2 3077/4885MEN1 3512/4885

“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.