SCHEMBL10177334

SCHEMBL10177334

C/C(Cc1ccccc1)=N\O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.52
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
AKR1B1 P15121 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NOS2 P35228 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 2/20 0.41
ALOX12 P18054 1/20 0.41
TP53 P04637 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL14667472 1.00 CTBP2 (0.52) CTBP2KDM4EALDH1A1KMT2AMEN1
SCHEMBL3658960 1.00 CTBP2 (0.52) CTBP2KDM4EALDH1A1KMT2AMEN1
SCHEMBL25620241 0.83 KDM4E (0.50) CTBP2KDM4EALDH1A1KMT2AMEN1
SCHEMBL11254350 0.82 ALOX5 (0.57) ALDH1A1SMN1; SMN2L3MBTL1CYP2C19HDAC6
SCHEMBL13902884 0.81 KDM4E (0.49) CTBP2KDM4EALDH1A1KMT2AMEN1
SCHEMBL19433078 0.81 KDM4E (0.49) CTBP2KDM4EALDH1A1KMT2AMEN1
SCHEMBL362289 0.79 CTBP2 (0.55) CTBP2ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL28007823 0.79 CTBP2 (0.52) CTBP2ALDH1A1SMN1; SMN2HDAC8HDAC6
SCHEMBL10889866 0.79 PLAU (0.42) CTBP2KDM4EALDH1A1SMN1; SMN2TP53
SCHEMBL8570445 0.79 KDM4E (0.47) CTBP2KDM4EALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234917-A1 ASPARAGINE DERIVATIVES AND METHODS OF USING SAME SENDA BIOSCIENCES INC (US) 2023-07-27 US disclosed
US-20230234917-A1 ASPARAGINE DERIVATIVES AND METHODS OF USING SAME SENDA BIOSCIENCES INC (US) 2023-07-27 US disclosed
WO-2021252640-A1 ASPARAGINE DERIVATIVES AND METHODS OF USING SAME SENDA BIOSCIENCES, INC. (US) 2021-12-16 WO disclosed
WO-2020129087-A1 NOVEL PROCESS FOR THE PREPARATION OF R-PHENYLACETYLCARBINOL AND β-AMINOALCOHOLS MALLADI DRUGS AND PHARMACEUTICALS LTD. (IN) 2020-06-25 WO 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-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-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 (7 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 CTBP2 2894/4885KDM4E 2092/4885ALDH1A1 3445/4885
US-20170121292-A1 HIV REPLICATION INHIBITING PYRIMIDINES RRM2B, CCNO, RRM2 CTBP2 2894/4885KDM4E 2092/4885ALDH1A1 3445/4885
US-20070021449-A1 Pyrimidine derivatives for the prevention of hiv infection ADORA2B, CYP1B1, DPYD CTBP2 3860/4885KDM4E 2891/4885ALDH1A1 188/4885
US-20120076835-A1 HIV INHIBITING PYRIMIDINES DERIVATIVES TYMS, PNP, DUT CTBP2 3834/4885KDM4E 798/4885ALDH1A1 2133/4885
US-20100034810-A1 PYRIMIDINE DERIVATIVES FOR THE PREVENTION OF HIV INFECTION NOX3, CBR3, CBR1 CTBP2 3446/4885KDM4E 3601/4885ALDH1A1 1723/4885
US-20230234917-A1 ASPARAGINE DERIVATIVES AND METHODS OF USING SAME ASNS, SI, NARS1 CTBP2 4724/4885KDM4E 4207/4885ALDH1A1 1286/4885
US-20170320835-A1 HIV REPLICATION INHIBITING PYRIMIDINES RRM2B, CCNO, RRM2 CTBP2 2894/4885KDM4E 2092/4885ALDH1A1 3445/4885

“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.