SCHEMBL20047697

SCHEMBL20047697

C=C(/N=C\c1cc(C(C)(C)C)ccc1C)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ GRIN2D O15399 2/20 0.34
▸ GRIN3B O60391 2/20 0.34
▸ GRIN1 Q05586 2/20 0.34
▸ GRIN2A Q12879 2/20 0.34
▸ GRIN2B Q13224 2/20 0.34
▸ GRIN2C Q14957 2/20 0.34
▸ GRIN3A Q8TCU5 2/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ PKM P14618 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ NPC1 O15118 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
SCHEMBL15828703 0.78 MAPT (0.69) MAPTSMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL32671491 0.72 MAPT (0.42) MAPTSMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL183161 0.72 MAPT (0.42) MAPTSMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL20047518 0.72 MAPT (0.37) MAPTSMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL20047609 0.71 MAPT (0.36) MAPTSMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL7817768 0.69 MAPT (0.42) MAPTSMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL14020461 0.69 ALDH1A1 (0.45) MAPTSMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL20414962 0.67 TDP1 (0.36) MAPTSMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL26032619 0.67 MEN1 (0.38) MAPTSMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL20047494 0.66 MEN1 (0.37) MAPTSMN1; SMN2ALDH1A1HPGDALOX15

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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 — — US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 — — 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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 MAPT 4191/4885SMN1; SMN2 4455/4885ALDH1A1 1577/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 MAPT 4191/4885SMN1; SMN2 4455/4885ALDH1A1 1577/4885

“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.

Send feedback