SCHEMBL21882575

SCHEMBL21882575

C=C(NC)c1cccc(C(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.42
CYP3A4 P08684 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 2/20 0.42
ALOX12 P18054 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
MDM4 O15151 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TP53 P04637 1/20 0.42
TYR P14679 1/20 0.42
CA5A P35218 1/20 0.42
HTT P42858 1/20 0.42
MDM2 Q00987 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL24002346 0.84 KAT6A (0.41) KAT6ASMN1; SMN2MAPTCYP3A4KDM4E
SCHEMBL24240715 0.80 TP53BP1 (0.44) KAT6ASMN1; SMN2MAPTCYP3A4KDM4E
SCHEMBL31529664 0.79 MAPT (0.46) KAT6ASMN1; SMN2MAPTCYP3A4KDM4E
SCHEMBL299924 0.79 MAPT (0.46) KAT6ASMN1; SMN2MAPTCYP3A4KDM4E
SCHEMBL10053239 0.79 RXRA (0.47) KAT6ASMN1; SMN2MAPTCYP3A4KDM4E
SCHEMBL11994349 0.78 KAT6A (0.42) KAT6ASMN1; SMN2MAPTCYP3A4KDM4E
SCHEMBL276759 0.78 HDAC8 (0.59) KAT6ASMN1; SMN2MAPTCYP3A4KDM4E
SCHEMBL23197915 0.78 KAT6A (0.42) KAT6ASMN1; SMN2MAPTCYP3A4KDM4E
SCHEMBL16775704 0.78 PTGS1 (0.44) KAT6ASMN1; SMN2MAPTCYP3A4KDM4E
SCHEMBL24923745 0.77 TAS1R3 (0.42) KAT6ASMN1; SMN2MAPTCYP3A4KDM4E

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 KAT6A 2864/4885SMN1; SMN2 4665/4885MAPT 2493/4885

“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.