SCHEMBL21160893

SCHEMBL21160893

CC(C)c1cc(F)c2nc(C(C)C)sc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.36
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
SCN4A P35499 1/20 0.36
PKM P14618 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
PARP15 Q460N3 1/20 0.32
PARP10 Q53GL7 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL2609434 0.84 RAB9A (0.51) RAB9AALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL25492745 0.83 RAB9A (0.37) RAB9AALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL25465422 0.83 HSD17B10 (0.39) RAB9AALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL19939699 0.81 ALDH1A1 (0.53) RAB9AALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL22255014 0.79 ALDH1A1 (0.39) RAB9AALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL23502557 0.79 GABRA1 (0.39) RAB9AALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL21161373 0.79 RAB9A (0.33) RAB9AALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL20047443 0.79 ALDH1A1 (0.33) RAB9AALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL25465580 0.78 RAB9A (0.33) RAB9AALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL21098148 0.77 ALDH1A1 (0.34) RAB9AALDH1A1SMN1; SMN2NPC1MEN1

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-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-06-23 US disclosed
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2019-06-27 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-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, GPBAR1 RAB9A 2307/4885ALDH1A1 1706/4885SMN1; SMN2 4330/4885
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof SLC10A1, NR1H4, GPBAR1 RAB9A 2307/4885ALDH1A1 1706/4885SMN1; SMN2 4330/4885

“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.