SCHEMBL1101431

SCHEMBL1101431

COC(=O)c1ccc2nc(S)oc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
NPC1 O15118 3/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
ATM Q13315 1/20 0.54
HTT P42858 2/20 0.49
ALOX15 P16050 1/20 0.49
CREBBP Q92793 1/20 0.48
PSMB8 P28062 1/20 0.47
HDAC6 Q9UBN7 1/20 0.45
TP53 P04637 1/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44

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
SCHEMBL1101422 0.88 MAPT (0.53) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL29364250 0.88 MAPT (0.53) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL19406013 0.84 MAPT (0.53) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL1680291 0.83 ALDH1A1 (0.59) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL22382318 0.83 MAPT (0.44) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL2361382 0.82 MAPT (0.54) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL31430581 0.82 MAPT (0.54) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL28562583 0.82 MAPT (0.54) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6152188 0.81 MAPT (0.56) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL29878609 0.81 TTR (0.56) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1

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 43 patents — showing the first 20. 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-114907503-B Photoinitiation system for aggregation state environment, photoinitiation polymeric material and application 北京航空航天大学 2023-05-16 CN disclosed
CN-109963849-B Nitrogen-containing heterocyclic compounds as FXR modulators 和博医药有限公司 2023-03-28 CN disclosed
CN-114907503-A Photoinitiation system for aggregation state environment, photoinitiation polymerization material and application 北京航空航天大学 2022-08-16 CN disclosed
CN-108430998-B Azabicyclo derivatives, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2021-07-09 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-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-20090163517-A1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES BINGGELI ALFRED 2009-06-25 US disclosed
WO-2009071650-A2 AMIDE COMPOUNDS AS BOOSTERS OF ANTIVIRALS TIBOTEC PHARMACEUTICALS LTD. (IE) 2009-06-11 WO disclosed
EP-1924579-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 US disclosed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
CN-1039415-C Heterocyclic compounds ZENECA LTD (GB) 1998-08-05 CN disclosed
EP-0660830-A1 BENZOXAZOLE AND BEZOTHIAZOLE DERIVATIVES ZENECA LIMITED (GB) 1995-07-05 EP disclosed
CN-1094400-A Heterogeneous ring compound ZENECA LTD (GB) 1994-11-02 CN disclosed
WO-1994006783-A1 BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES ZENECA LIMITED (GB) 1994-03-31 WO disclosed
WO-1994006782-A1 BENZOXAZOLE AND BEZOTHIAZOLE DERIVATIVES ZENECA LIMITED (GB) 1994-03-31 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 (5 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 MAPT 3342/4885RAB9A 2013/4885SMN1; SMN2 4820/4885
US-20090163517-A1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES SSTR5, NPY5R, NPY1R MAPT 3260/4885RAB9A 4077/4885SMN1; SMN2 2450/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R MAPT 3260/4885RAB9A 4077/4885SMN1; SMN2 2450/4885
US-10919903-B2 Nitrogen-containing heterocyclic compounds as FXR modulators NR1H4, FXR1, FXR2 MAPT 3342/4885RAB9A 2013/4885SMN1; SMN2 4820/4885
US-20210079006-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AS FXR MODULATORS NR1H4, FXR1, FXR2 MAPT 3342/4885RAB9A 2013/4885SMN1; 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.