SCHEMBL20094483

SCHEMBL20094483

COC(=O)c1cc(OC)c2nc(C=O)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 5/20 0.39
KMT2A Q03164 3/20 0.39
PKM P14618 1/20 0.39
CYP3A4 P08684 1/20 0.39
ERN1 O75460 2/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
CNR2 P34972 1/20 0.37
HDAC1 Q13547 1/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TNF P01375 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL21262149 0.88 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTKMT2APKM
SCHEMBL23905552 0.85 NPC1 (0.38) ALDH1A1KDM4EMAPTKMT2APIK3CA
SCHEMBL20094461 0.83 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTKMT2APKM
SCHEMBL20094718 0.82 RAB9A (0.48) ALDH1A1KDM4EMAPTKMT2APKM
SCHEMBL20031462 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTKMT2APKM
SCHEMBL20094500 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTKMT2APKM
SCHEMBL9951657 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTKMT2APKM
SCHEMBL642545 0.81 CYP3A4 (0.50) ALDH1A1KDM4EMAPTKMT2APKM
SCHEMBL23195652 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTKMT2APKM
SCHEMBL19202342 0.80 KMT2A (0.48) ALDH1A1KDM4EMAPTKMT2APKM

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3529247-B1 HETEROCYCLIC FXR MODULATORS HEPAGENE THERAPEUTICS HK LTD (HK) 2021-08-18 EP disclosed
EP-3529247-B1 HETEROCYCLIC FXR MODULATORS HEPAGENE THERAPEUTICS HK LTD (HK) 2021-08-18 EP disclosed
US-10899723-B2 Heterocyclic containing cyclopropyl FXR modulators Hepagene Therapeutics (HK) Limited (HK) 2021-01-26 US disclosed
US-20190248752-A1 HETEROCYCLIC FXR MODULATORS Hepagene Therapeutics (HK) Limited (HK) 2019-08-15 US disclosed
US-20190248752-A1 HETEROCYCLIC FXR MODULATORS Hepagene Therapeutics (HK) Limited (HK) 2019-08-15 US disclosed
WO-2018075207-A1 HETEROCYCLIC FXR MODULATORS HEPAGENE THERAPEUTICS, INC. (VG) 2018-04-26 WO 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-10899723-B2 Heterocyclic containing cyclopropyl FXR modulators NR1H4, FXR1, GPBAR1 ALDH1A1 3299/4885KDM4E 4482/4885MAPT 4034/4885
US-20190248752-A1 HETEROCYCLIC FXR MODULATORS NR1H4, FXR1, NR1H2 ALDH1A1 3556/4885KDM4E 4596/4885MAPT 4208/4885

“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.