SCHEMBL20178670

SCHEMBL20178670

SN1CCCc2ncccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.35
KCNQ2 O43526 1/20 0.34
PTPN11 Q06124 7/20 0.34
KMT2A Q03164 2/20 0.33
KCNH2 Q12809 2/20 0.33
HTT P42858 2/20 0.33
TBXAS1 P24557 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ROCK1 Q13464 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL21733182 0.89 HTR2A (0.34) CYP19A1KCNQ2HTTKDM4EPOLB
SCHEMBL25439176 0.78 KCNQ2 (0.37) CYP19A1KCNQ2PTPN11KMT2AKCNH2
SCHEMBL8276417 0.78 TNKS (0.37) CYP19A1KCNQ2PTPN11KMT2AKCNH2
SCHEMBL22313608 0.78 KMT2A (0.36) CYP19A1KCNQ2PTPN11KMT2AKCNH2
SCHEMBL15529306 0.78 PTPN11 (0.37) CYP19A1KCNQ2PTPN11KMT2AKCNH2
SCHEMBL10222503 0.74 KCNQ2 (0.40) CYP19A1KCNQ2PTPN11KMT2AKCNH2
SCHEMBL13180254 0.74 GRIA2 (0.42) KCNQ2PTPN11KMT2AKCNH2HTT
SCHEMBL10094132 0.74 JAK2 (0.40) CYP19A1KCNQ2PTPN11KMT2AKCNH2
SCHEMBL29796791 0.73 MEN1 (0.43) CYP19A1PTPN11KMT2ATBXAS1HTR2A
SCHEMBL31492896 0.73 GAA (0.43) KCNQ2PTPN11KMT2AHTTKDM4E

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 CYP19A1 1055/4885KCNQ2 4331/4885PTPN11 1840/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 CYP19A1 1055/4885KCNQ2 4331/4885PTPN11 1840/4885

“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.