SCHEMBL16709809

SCHEMBL16709809

COC(=O)c1ccc(CNCc2cccc(F)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MAPT P10636 2/20 0.53
HDAC1 Q13547 2/20 0.53
MRGPRX4 Q96LA9 1/20 0.53
LMNA P02545 3/20 0.52
TP53 P04637 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
HPGD P15428 1/20 0.51
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
POLB P06746 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
MAPK1 P28482 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
SCHEMBL16709811 0.87 LMNA (0.55) SMN1; SMN2KMT2AMEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL16506853 0.86 MEN1 (0.50) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL16709787 0.85 MRGPRX4 (0.51) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL9938980 0.85 KMT2A (0.56) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL185028 0.85 MEN1 (0.61) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL8755066 0.84 CA1 (0.69) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL16709812 0.84 SMN1; SMN2 (0.58) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL13866770 0.84 SMN1; SMN2 (0.59) SMN1; SMN2HDAC1OPRM1OPRD1OPRK1
SCHEMBL16709792 0.83 MRGPRX4 (0.49) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL16709816 0.83 MAOB (0.48) SMN1; SMN2KMT2AMEN1RAB9AMRGPRX4

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 12 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-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-10683271-B2 Compositions and methods for modulating farnesoid X receptors NOVARTIS AG (CH) 2020-06-16 US 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
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 (6 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-11021446-B2 Compositions and methods for modulating farnesoid X receptors NR1H4, GPBAR1, SLC10A1 SMN1; SMN2 4881/4885KMT2A 4283/4885MEN1 2907/4885
US-20210253534-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NR1H4, GPBAR1, SLC10A1 SMN1; SMN2 4881/4885KMT2A 4283/4885MEN1 2907/4885
US-20200247757-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NR1H4, GPBAR1, SLC10A1 SMN1; SMN2 4881/4885KMT2A 4283/4885MEN1 2907/4885
US-20160340317-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NR1H4, GPBAR1, SLC10A1 SMN1; SMN2 4881/4885KMT2A 4283/4885MEN1 2907/4885
US-20170275256-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NR1H4, GPBAR1, SLC10A1 SMN1; SMN2 4881/4885KMT2A 4283/4885MEN1 2907/4885
US-10683271-B2 Compositions and methods for modulating farnesoid X receptors NR1H4, GPBAR1, SLC10A1 SMN1; SMN2 4881/4885KMT2A 4283/4885MEN1 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.