SCHEMBL3137922

SCHEMBL3137922

O=C(c1ccc(Oc2ccc(CNc3ccc(C(F)(F)F)cc3)cn2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
PRKAA2 P54646 5/20 0.51
PRKAB2 O43741 4/20 0.51
PRKAG1 P54619 4/20 0.51
PRKAA1 Q13131 4/20 0.51
PRKAG3 Q9UGI9 4/20 0.51
PRKAG2 Q9UGJ0 4/20 0.51
PRKAB1 Q9Y478 4/20 0.51
ALDH1A1 P00352 4/20 0.49
USP2 O75604 1/20 0.49
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
LMNA P02545 4/20 0.48
MAPT P10636 4/20 0.48
GAA P10253 3/20 0.48
HTT P42858 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48

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
SCHEMBL3138360 0.91 LMNA (0.54) MEN1KMT2AALDH1A1USP2SMN1; SMN2
SCHEMBL3137365 0.90 PRKAA2 (0.56) MEN1KMT2APRKAA2PRKAB2PRKAG1
SCHEMBL3143585 0.85 LMNA (0.49) MEN1KMT2AALDH1A1USP2SMN1; SMN2
SCHEMBL3142751 0.82 PRKAA2 (0.61) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3032985 0.82 FAAH (0.47) MEN1KMT2APRKAA2ALDH1A1USP2
SCHEMBL8925146 0.82 FAAH (0.47) MEN1KMT2APRKAA2USP2SMN1; SMN2
SCHEMBL8925244 0.81 FAAH (0.46) MEN1KMT2APRKAA2USP2SMN1; SMN2
SCHEMBL5646015 0.81 LIPE (0.61) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL12276572 0.80 NPC1 (0.47) PRKAA2ALDH1A1USP2SMN1; SMN2LMNA
SCHEMBL8925732 0.80 LMNA (0.49) MEN1KMT2AALDH1A1SMN1; SMN2LMNA

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-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

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 MEN1 1020/4885KMT2A 984/4885PRKAA2 4793/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 MEN1 1851/4885KMT2A 1623/4885PRKAA2 4098/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 MEN1 3512/4885KMT2A 2349/4885PRKAA2 4856/4885

“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.