SCHEMBL20178711

SCHEMBL20178711

CCCCc1cccc(-c2nnnn2C)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.48
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
CCR3 P51677 5/20 0.41
ALDH1A1 P00352 2/20 0.41
PSMB5 P28074 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL12879723 0.85 MEN1 (0.48) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL709274 0.81 SMN1; SMN2 (0.50) HSD11B1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL12377870 0.76 L3MBTL1 (0.62) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL199210 0.76 LPL (0.52) HSD11B1PSMB5L3MBTL1
SCHEMBL1559305 0.74 FFAR1 (0.44) HSD11B1CCR3ALDH1A1
SCHEMBL7452483 0.73 ACLY (0.53) HSD11B1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL4604718 0.72 CCR3 (0.45) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL1092164 0.72 SMN1; SMN2 (0.50) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL584175 0.72 SMN1; SMN2 (0.50) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL14387911 0.72 SMN1; SMN2 (0.58) CYP1A2SMN1; SMN2CCR3ALDH1A1

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 HSD11B1 497/4885MEN1 4363/4885CYP1A2 431/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 HSD11B1 497/4885MEN1 4363/4885CYP1A2 431/4885

“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.