SCHEMBL9956920

SCHEMBL9956920

O=C(O)c1nsc2cc(Br)c(F)cc12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL9958324 0.86 DGAT1 (0.33) IDO1MAPTKDM4ENPC1RAB9A
SCHEMBL9957616 0.82 MAPT (0.38) MAPTKDM4EPOLB
SCHEMBL30211547 0.73 BCKDK (0.47) MAPTKDM4EPOLB
SCHEMBL30211551 0.73 RXFP1 (0.41) MAPTKDM4ENPC1RAB9APOLB
SCHEMBL260308 0.73 RXFP1 (0.41) MAPTKDM4ENPC1RAB9APOLB
SCHEMBL24898412 0.73 BCKDK (0.47) MAPTKDM4EPOLB
SCHEMBL260474 0.73 RXFP1 (0.41) MAPTKDM4ENPC1RAB9APOLB
SCHEMBL30209249 0.73 RXFP1 (0.41) MAPTKDM4ENPC1RAB9APOLB
SCHEMBL20529391 0.73 KDM4E (0.31) MAPTKDM4E
SCHEMBL24898067 0.70 HCAR1 (0.35) NPC1RAB9A

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
EP-2655370-B1 COMPOSITIONS AND METHODS FOR MODULATING FXR NOVARTIS AG (CH) 2017-08-02 EP disclosed
EP-2655370-B1 COMPOSITIONS AND METHODS FOR MODULATING FXR NOVARTIS AG (CH) 2017-08-02 EP disclosed
US-20150366856-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NOVARTIS AG (CH) 2015-12-24 US disclosed
US-20150366856-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NOVARTIS AG (CH) 2015-12-24 US disclosed
US-20150366856-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NOVARTIS AG (CH) 2015-12-24 US disclosed
US-9150568-B2 Compositions and methods for modulating FXR NOVARTIS AG (CH) 2015-10-06 US disclosed
US-9150568-B2 Compositions and methods for modulating FXR NOVARTIS AG (CH) 2015-10-06 US disclosed
US-9150568-B2 Compositions and methods for modulating FXR NOVARTIS AG (CH) 2015-10-06 US disclosed
US-20130331349-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2013-12-12 US disclosed
EP-2655370-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2013-10-30 EP disclosed
WO-2012087519-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2012-06-28 WO disclosed
WO-2012087519-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2012-06-28 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 (2 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-20150366856-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 EGLN1 4549/4885IDO1 2715/4885TDO2 2988/4885
US-20130331349-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 EGLN1 4603/4885IDO1 2772/4885TDO2 2847/4885

“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.