SCHEMBL21326445

SCHEMBL21326445

COC(=O)c1cc(Cl)c2nc(Cl)sc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 4/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
HDAC1 Q13547 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
LMNA P02545 3/20 0.39
GAA P10253 3/20 0.39

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
SCHEMBL9952440 0.87 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL31341995 0.87 PIK3CA (0.43) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL20839867 0.87 HDAC1 (0.43) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL9951657 0.85 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL20554184 0.85 SMN1; SMN2 (0.51) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL11589979 0.85 ALDH1A1 (0.54) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1983363 0.76 PIK3CA (0.64) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL9955853 0.74 ALDH1A1 (0.45) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL29644660 0.74 ALDH1A1 (0.45) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1121389 0.73 NPC1 (0.50) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A

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 10 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
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-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-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
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 4338/4885SMN1; SMN2 4820/4885
US-10919903-B2 Nitrogen-containing heterocyclic compounds as FXR modulators NR1H4, FXR1, FXR2 KDM4E 4343/4885ALDH1A1 4338/4885SMN1; SMN2 4820/4885
US-20210079006-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AS FXR MODULATORS NR1H4, FXR1, FXR2 KDM4E 4343/4885ALDH1A1 4338/4885SMN1; SMN2 4820/4885

“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.