SCHEMBL20178672

SCHEMBL20178672

CCN1Cc2cnc(C(F)(F)F)cc2C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.38
LMNA P02545 1/20 0.33
KDM2B Q8NHM5 2/20 0.33
MOGAT2 Q3SYC2 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
JAK2 O60674 1/20 0.31
LOXL2 Q9Y4K0 2/20 0.31
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
CA2 P00918 1/20 0.31
CHKA P35790 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
FAAH O00519 1/20 0.31
LOX P28300 1/20 0.30
SYK P43405 1/20 0.30
KCNH2 Q12809 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
SCHEMBL20178630 0.81 SLC6A9 (0.40) SLC6A9TRPV4JAK2CA2CHKA
SCHEMBL20178662 0.77 TRPV4 (0.38) SLC6A9TRPV4JAK2LOXL2CA2
SCHEMBL20173785 0.77 SLC6A9 (0.42) SLC6A9TRPV4CA2CHKASCN10A
SCHEMBL20178671 0.76 TMEM97 (0.39) SLC6A9KCNH2
SCHEMBL25225884 0.72 KDM4E (0.52) LMNA
SCHEMBL30488188 0.72 KDM4E (0.52) LMNA
SCHEMBL29110020 0.71 L3MBTL3 (0.32) LMNA
SCHEMBL13563256 0.71 ADORA2A (0.40) LMNAKCNH2
SCHEMBL13939996 0.70 DPP7 (0.51) LMNAKCNH2
SCHEMBL4821952 0.69 SLC6A9 (0.42) SLC6A9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-03-24 US disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 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 (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-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 SLC6A9 559/4885LMNA 4211/4885KDM2B 4303/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 SLC6A9 559/4885LMNA 4211/4885KDM2B 4303/4885

“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.