SCHEMBL21882591

SCHEMBL21882591

CN1Cc2cncc(C(F)(F)F)c2C1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 3/20 0.34
CYP2C19 P33261 3/20 0.34
SSTR4 P31391 2/20 0.33
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
MAPK1 P28482 1/20 0.30
PMP22 Q01453 1/20 0.30
KMT2A Q03164 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
SCHEMBL20178681 0.79 LMNA (0.33) CYP1A2CYP2D6CYP2C19SSTR4ALDH1A1
SCHEMBL20173791 0.78 MITF (0.32) ALDH1A1LMNA
SCHEMBL20178675 0.78
SCHEMBL21882784 0.73 ACHE (0.31)
SCHEMBL20178642 0.73 NOTUM (0.43) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL25045629 0.72 TGFBR1 (0.30)
SCHEMBL20178629 0.68 NOTUM (0.32) ALDH1A1KDM4E
SCHEMBL21990518 0.67 HTR2A (0.33)
SCHEMBL256354 0.65 SIGMAR1 (0.46) LMNAMAPT
SCHEMBL20178633 0.64 HTR2A (0.41) ALDH1A1KDM4E

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 CYP1A2 431/4885CYP3A4 305/4885CYP2D6 1199/4885

“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.