SCHEMBL21326432

SCHEMBL21326432

COC(=O)c1cc(OC)c2sc(Cl)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 4/20 0.40
CYP3A4 P08684 1/20 0.40
CNR2 P34972 1/20 0.39
KMT2A Q03164 7/20 0.38
GLA P06280 1/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTPN11 Q06124 1/20 0.37
TSHR P16473 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
SCHEMBL20840275 0.83 ALDH1A1 (0.41) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL9951657 0.77 ALDH1A1 (0.50) KDM4EALDH1A1MAPTCYP3A4CNR2
SCHEMBL31726166 0.74 ALDH1A1 (0.50) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL17686403 0.74 ALDH1A1 (0.45) KDM4EALDH1A1MAPTCYP3A4CNR2
SCHEMBL1121389 0.74 NPC1 (0.50) KDM4EALDH1A1MAPTCYP3A4KMT2A
SCHEMBL31523386 0.74 KDM4E (0.44) KDM4EALDH1A1MAPTCYP3A4CNR2
SCHEMBL21729783 0.73 KDM4E (0.55) KDM4EALDH1A1MAPTCYP3A4CNR2
SCHEMBL1144796 0.72 KDM4E (0.46) KDM4EALDH1A1MAPTCYP3A4CNR2
SCHEMBL22607100 0.72 CYP3A4 (0.46) KDM4EALDH1A1MAPTCYP3A4CNR2
SCHEMBL1983363 0.71 PIK3CA (0.64) KDM4EALDH1A1MAPTKMT2AMEN1

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-3535260-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AS FXR MODULATORS HEPAGENE THERAPEUTICS HK LTD (HK) 2023-08-30 EP disclosed
CN-109963849-B Nitrogen-containing heterocyclic compounds as FXR modulators 和博医药有限公司 2023-03-28 CN disclosed
US-20210079006-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AS FXR MODULATORS HEPAGENE THERAPEUTICS HK LTD (HK) 2021-03-18 US disclosed
US-10919903-B2 Nitrogen-containing heterocyclic compounds as FXR modulators Hepagene Therapeutics (HK) Limited (HK) 2021-02-16 US disclosed
US-20190276465-A1 Nitrogen-Containing Heterocyclic Compounds As FXR Modulators Hepagene Therapeutics (HK) Limited (HK) 2019-09-12 US disclosed
EP-3535260-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AS FXR MODULATORS Hepagene Therapeutics, Inc. (VG) 2019-09-11 EP 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 (3 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-20190276465-A1 Nitrogen-Containing Heterocyclic Compounds As FXR Modulators NR1H4, FXR1, FXR2 KDM4E 4343/4885ALDH1A1 4338/4885MAPT 3342/4885
US-10919903-B2 Nitrogen-containing heterocyclic compounds as FXR modulators NR1H4, FXR1, FXR2 KDM4E 4343/4885ALDH1A1 4338/4885MAPT 3342/4885
US-20210079006-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AS FXR MODULATORS NR1H4, FXR1, FXR2 KDM4E 4343/4885ALDH1A1 4338/4885MAPT 3342/4885

“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.