SCHEMBL16702001

SCHEMBL16702001

COC(=O)c1ccc(F)c(NCCNCc2cccc(F)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HTR2A P28223 2/20 0.43
HIF1A Q16665 1/20 0.43
LMNA P02545 2/20 0.43
SCN8A Q9UQD0 1/20 0.43
TP53 P04637 1/20 0.43
MPO P05164 2/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 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
SCHEMBL16709735 0.90 MAPT (0.44) MRGPRX4MAPTMEN1KMT2ANPC1
SCHEMBL16709736 0.90 HDAC1 (0.55) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL16702289 0.83 LMNA (0.50) MRGPRX4MAPTMEN1KMT2ANPC1
SCHEMBL16709728 0.81 KMT2A (0.46) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL15761743 0.80 MRGPRX4 (0.55) MRGPRX4MEN1KMT2AHDAC1HDAC8
SCHEMBL16709809 0.79 SMN1; SMN2 (0.54) MRGPRX4MAPTMEN1KMT2ANPC1
SCHEMBL16709787 0.79 MRGPRX4 (0.51) MRGPRX4MAPTMEN1KMT2ANPC1
SCHEMBL16709757 0.79 MEN1 (0.50) MRGPRX4MAPTMEN1KMT2ANPC1
SCHEMBL16702566 0.76 KDM4E (0.47) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL8755066 0.75 CA1 (0.69) MRGPRX4MAPTMEN1KMT2ANPC1

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-20210253534-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS CHINA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH CO., LTD (CN) 2021-08-19 US disclosed
US-20210253534-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS CHINA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH CO., LTD (CN) 2021-08-19 US disclosed
US-11021446-B2 Compositions and methods for modulating farnesoid X receptors NOVARTIS AG (CH) 2021-06-01 US disclosed
US-11021446-B2 Compositions and methods for modulating farnesoid X receptors NOVARTIS AG (CH) 2021-06-01 US disclosed
US-20200247757-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. 2020-08-06 US disclosed
US-20200247757-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. 2020-08-06 US disclosed
US-10683271-B2 Compositions and methods for modulating farnesoid X receptors NOVARTIS AG (CH) 2020-06-16 US disclosed
US-10683271-B2 Compositions and methods for modulating farnesoid X receptors NOVARTIS AG (CH) 2020-06-16 US disclosed
US-10077240-B2 Compositions and methods for modulating farnesoid X receptors NOVARTIS AG (CH) 2018-09-18 US disclosed
EP-3065738-B1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2018-02-28 EP disclosed
EP-3065738-B1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2018-02-28 EP disclosed
US-20170275256-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA THE GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-09-28 US disclosed
US-20170275256-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA THE GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-09-28 US disclosed
US-9682939-B2 Compositions and methods for modulating farnesoid X receptors NOVARTIS AG (CH) 2017-06-20 US disclosed
US-9682939-B2 Compositions and methods for modulating farnesoid X receptors NOVARTIS AG (CH) 2017-06-20 US disclosed
US-20160340317-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2016-11-24 US disclosed
US-20160340317-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2016-11-24 US disclosed
EP-3065738-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2016-09-14 EP disclosed
WO-2015069666-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS IRM LLC (BM) 2015-05-14 WO disclosed
WO-2015069666-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS IRM LLC (BM) 2015-05-14 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 (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-10077240-B2 Compositions and methods for modulating farnesoid X receptors NR1H4, GPBAR1, SLC10A1 MRGPRX4 239/4885MAPT 4447/4885MEN1 2907/4885
US-11021446-B2 Compositions and methods for modulating farnesoid X receptors NR1H4, GPBAR1, SLC10A1 MRGPRX4 239/4885MAPT 4447/4885MEN1 2907/4885
US-20210253534-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NR1H4, GPBAR1, SLC10A1 MRGPRX4 239/4885MAPT 4447/4885MEN1 2907/4885
US-20200247757-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NR1H4, GPBAR1, SLC10A1 MRGPRX4 239/4885MAPT 4447/4885MEN1 2907/4885
US-20160340317-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NR1H4, GPBAR1, SLC10A1 MRGPRX4 239/4885MAPT 4447/4885MEN1 2907/4885
US-20170275256-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NR1H4, GPBAR1, SLC10A1 MRGPRX4 239/4885MAPT 4447/4885MEN1 2907/4885
US-10683271-B2 Compositions and methods for modulating farnesoid X receptors NR1H4, GPBAR1, SLC10A1 MRGPRX4 239/4885MAPT 4447/4885MEN1 2907/4885

“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.