SCHEMBL8900221

SCHEMBL8900221

Nc1cc(N)cc(COc2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.59
GAA P10253 2/20 0.59
MAPT P10636 1/20 0.59
MAOA P21397 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
GSTP1 P09211 2/20 0.57
PPARG P37231 1/20 0.54
PPARD Q03181 1/20 0.54
PTGER4 P35408 1/20 0.51
FFAR1 O14842 2/20 0.50
MGAM O43451 1/20 0.49
SI P14410 1/20 0.49
MGAM2 Q2M2H8 1/20 0.49
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
CYP2C19 P33261 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
SCHEMBL12533272 0.86 MAOB (0.65) MAOBGAAMAPTMAOARAB9A
SCHEMBL10017580 0.84 MAOB (0.64) MAOBGAAMAPTMAOARAB9A
SCHEMBL12220476 0.84 PARP10 (0.50) MAOBGAAMAPTMAOARAB9A
SCHEMBL10017577 0.83 RXRA (0.47) MAOBGAAMAPTMAOARAB9A
SCHEMBL18027651 0.82 GSTP1 (0.57) MAOBGAAMAPTMAOARAB9A
SCHEMBL5045790 0.81 MAOB (0.89) MAOBGAAMAPTMAOARAB9A
SCHEMBL3791194 0.81 MAOB (0.68) MAOBGAAMAPTMAOARAB9A
SCHEMBL12241389 0.81 MAOB (0.47) MAOBGAAMAPTMAOARAB9A
SCHEMBL23483029 0.81 LMNA (0.69) MAOBGAAMAPTMAOARAB9A
SCHEMBL1096817 0.81 LMNA (0.69) MAOBGAAMAPTMAOARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180153830-A1 SELECTIVE INHIBITORS OF UNDIFFERENTIATED CELLS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2018-06-07 US disclosed
US-20180153830-A1 SELECTIVE INHIBITORS OF UNDIFFERENTIATED CELLS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2018-06-07 US disclosed
US-20170027890-A1 SELECTIVE INHIBITORS OF UNDIFFERENTIATED CELLS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2017-02-02 US disclosed
US-20170027890-A1 SELECTIVE INHIBITORS OF UNDIFFERENTIATED CELLS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2017-02-02 US disclosed
US-20170027890-A1 SELECTIVE INHIBITORS OF UNDIFFERENTIATED CELLS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2017-02-02 US disclosed
US-9456998-B2 Selective inhibitors of undifferentiated cells YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2016-10-04 US disclosed
US-9456998-B2 Selective inhibitors of undifferentiated cells YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2016-10-04 US disclosed
US-9456998-B2 Selective inhibitors of undifferentiated cells YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2016-10-04 US disclosed
US-20150148359-A1 SELECTIVE INHIBITORS OF UNDIFFERENTIATED CELLS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2015-05-28 US disclosed
US-20150148359-A1 SELECTIVE INHIBITORS OF UNDIFFERENTIATED CELLS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2015-05-28 US disclosed
US-20150148359-A1 SELECTIVE INHIBITORS OF UNDIFFERENTIATED CELLS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2015-05-28 US disclosed
WO-2013175474-A2 SELECTIVE INHIBITORS OF UNDIFFERENTIATED CELLS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2013-11-28 WO disclosed
EP-0663391-B1 Sulphuric acid esters of sugar alcohols for the treatment of arteriosclerotic changes in the vascular walls HOFFMANN LA ROCHE (CH) 1997-04-09 EP disclosed
US-5521160-A COMPOUNDS FOR TREATMENT OF ATHERIOSCLEROSIS IN BLOOD VESSELS AND PREVENTION OF RESTENOSIS AFTER ANGIOPLASTY HOFFMANN-LA ROCHE INC. (US) 1996-05-28 US disclosed
EP-0663391-A1 Sulphuric acid esters of sugar alcohols for the treatment of arteriosclerotic changes in the vascular walls F. HOFFMANN-LA ROCHE AG (CH) 1995-07-19 EP 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-20180153830-A1 SELECTIVE INHIBITORS OF UNDIFFERENTIATED CELLS MCL1, MKI67, SCD MAOB 3632/4885GAA 918/4885MAPT 4089/4885
US-20170027890-A1 SELECTIVE INHIBITORS OF UNDIFFERENTIATED CELLS MCL1, MKI67, SCD MAOB 3632/4885GAA 918/4885MAPT 4089/4885
US-20150148359-A1 SELECTIVE INHIBITORS OF UNDIFFERENTIATED CELLS MCL1, MKI67, SCD MAOB 3632/4885GAA 918/4885MAPT 4089/4885

“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.