SCHEMBL10147075

SCHEMBL10147075

CC(C)C(=NOCc1ccccc1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
LMNA P02545 4/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 4/20 0.42
PPARG P37231 2/20 0.40
PPARA Q07869 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
IDO1 P14902 1/20 0.39

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
SCHEMBL21226242 0.88 MAPT (0.40) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL22326643 0.83 AGXT (0.44) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL14627769 0.83 MAPT (0.48) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL22548068 0.81 ALDH1A1 (0.43) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL22326642 0.81 L3MBTL1 (0.44) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL13510803 0.81 ALDH1A1 (0.43) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL27369629 0.80 L3MBTL1 (0.47) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL678711 0.78 MAPT (0.57) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL2047156 0.78 NPC1 (0.50) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL2047154 0.78 NPC1 (0.50) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11219214-B2 Benzosultams and analogues and their use as fungicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2022-01-11 US disclosed
US-20200323211-A1 BENZOSULTAMS AND ANALOGUES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-10-15 US disclosed
US-10736321-B2 Benzosultams and analogues and their use as fungicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-08-11 US disclosed
US-9981919-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICAL N.V. (BE) 2018-05-29 US disclosed
US-9981919-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICAL N.V. (BE) 2018-05-29 US disclosed
US-20170320835-A1 HIV REPLICATION INHIBITING PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2017-11-09 US disclosed
US-20170320835-A1 HIV REPLICATION INHIBITING PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2017-11-09 US disclosed
US-20170121292-A1 HIV REPLICATION INHIBITING PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2017-05-04 US disclosed
US-20170121292-A1 HIV REPLICATION INHIBITING PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2017-05-04 US disclosed
US-9580392-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2017-02-28 US disclosed
US-9580392-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2017-02-28 US disclosed
US-9192577-B2 Pharmaceutical compositions comprising a basic drug compound, a surfactant, and a physiologically tolerable water soluble acid JANSSEN PHARMACEUTICA NV (BE) 2015-11-24 US disclosed
US-20140343006-A1 HIV Replication Inhibiting Pyrimidines JANSSEN PHARMACEUTICA NV (NL) 2014-11-20 US disclosed
US-8828982-B2 Pyrimidine derivatives for the prevention of HIV infection JANSSEN PHARMACEUTICA N.V. (BE) 2014-09-09 US disclosed
US-20120076835-A1 HIV INHIBITING PYRIMIDINES DERIVATIVES GUILLEMONT JEROME EMILE GEORGES (FR) 2012-03-29 US disclosed
US-20120076835-A1 HIV INHIBITING PYRIMIDINES DERIVATIVES GUILLEMONT JEROME EMILE GEORGES (FR) 2012-03-29 US disclosed
US-8080551-B2 HIV inhibiting pyrimidines derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-20 US disclosed
US-8080551-B2 HIV inhibiting pyrimidines derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-20 US disclosed
US-20100034810-A1 PYRIMIDINE DERIVATIVES FOR THE PREVENTION OF HIV INFECTION JANSSEN-CILAG (FR) 2010-02-11 US disclosed
US-20070021449-A1 Pyrimidine derivatives for the prevention of hiv infection HEERES JAN 2007-01-25 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 (9 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-20140343006-A1 HIV Replication Inhibiting Pyrimidines RRM2B, CCNO, RRM2 MAPT 4242/4885NPC1 636/4885RAB9A 3780/4885
US-20170121292-A1 HIV REPLICATION INHIBITING PYRIMIDINES RRM2B, CCNO, RRM2 MAPT 4242/4885NPC1 636/4885RAB9A 3780/4885
US-20070021449-A1 Pyrimidine derivatives for the prevention of hiv infection ADORA2B, CYP1B1, DPYD MAPT 3887/4885NPC1 2768/4885RAB9A 2549/4885
US-20200323211-A1 BENZOSULTAMS AND ANALOGUES AND THEIR USE AS FUNGICIDES GABBR1, DPM1, CYP51A1 MAPT 1384/4885NPC1 3667/4885RAB9A 3267/4885
US-10736321-B2 Benzosultams and analogues and their use as fungicides GABBR1, DPM1, CYP51A1 MAPT 1384/4885NPC1 3667/4885RAB9A 3267/4885
US-20120076835-A1 HIV INHIBITING PYRIMIDINES DERIVATIVES TYMS, PNP, DUT MAPT 989/4885NPC1 865/4885RAB9A 2179/4885
US-20100034810-A1 PYRIMIDINE DERIVATIVES FOR THE PREVENTION OF HIV INFECTION NOX3, CBR3, CBR1 MAPT 4688/4885NPC1 484/4885RAB9A 2882/4885
US-20170320835-A1 HIV REPLICATION INHIBITING PYRIMIDINES RRM2B, CCNO, RRM2 MAPT 4242/4885NPC1 636/4885RAB9A 3780/4885
US-11219214-B2 Benzosultams and analogues and their use as fungicides GABBR1, DPM1, CYP51A1 MAPT 1384/4885NPC1 3667/4885RAB9A 3267/4885

“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.