SCHEMBL4484871

SCHEMBL4484871

Cc1c(C(=O)O)oc2cc(OCCN(CCO)c3ccccc3NS(C)(=O)=O)ccc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
NR3C1 P04150 7/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ACHE P22303 5/20 0.41
MAOB P27338 4/20 0.40
MAOA P21397 3/20 0.40
BCHE P06276 2/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
PGR P06401 2/20 0.39
NR3C2 P08235 2/20 0.39
AR P10275 2/20 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
SCHEMBL4473481 0.86 NR3C1 (0.40) NR3C1PGRNR3C2AR
SCHEMBL4484186 0.85 NR3C1 (0.42) KDM4EALDH1A1NR3C1ACHEBCHE
SCHEMBL4635188 0.83 NR3C1 (0.40) KDM4ENR3C1ACHEBCHEMEN1
SCHEMBL4486735 0.82 NR3C1 (0.40) NR3C1ACHEBCHEPGRNR3C2
SCHEMBL1120796 0.82 NR3C1 (0.43) NR3C1PGRNR3C2AR
Hydrochloric Acid SCHEMBL1120842 0.81 NR3C1 (0.43) NR3C1PGRNR3C2AR
SCHEMBL1120828 0.80 NR3C1 (0.41) NR3C1PGRNR3C2AR
SCHEMBL1120929 0.80 KDM4E (0.45) KDM4EALDH1A1NR3C1MEN1KMT2A
Hydrochloric Acid SCHEMBL1120878 0.80 NR3C1 (0.43) NR3C1PGRNR3C2AR
SCHEMBL1120895 0.79 NR3C1 (0.43) NR3C1PGRNR3C2AR

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
US-20050020602-A1 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-27 US claimed
EP-1447400-A1 BICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2004-08-18 EP claimed
US-7598284-B2 Indazole compounds as B3 adrenoceptor agonist ASAHI KASEI PHARMA CORPORATION (JP) 2009-10-06 US disclosed
US-7511069-B2 Indazole compounds as β3 andrenoceptor agonist ASAHI PHARMA CORPORATION (JP) 2009-03-31 US disclosed
EP-1935882-A1 Bicyclic compounds Asahi Kasei Pharma Corporation (JP) 2008-06-25 EP disclosed
US-20080076815-A1 Indole compounds as B3 androceptor agonist ASHI KASEI PHARMA CORPORATION (JP) 2008-03-27 US disclosed
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ASAHI KASEI PHARMA CORPORATION (JP) 2008-01-17 US disclosed
US-7271190-B2 Indazole compounds as β3 adrenoceptor agonist ASAHI KASEI PHARMA CORPORATION (JP) 2007-09-18 US disclosed
US-20050020602-A1 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-27 US disclosed
EP-1447400-A1 BICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2004-08-18 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-20050020602-A1 Bicyclic compound GOT1, H1-0, HSD11B1 KDM4E 4236/4885ALDH1A1 741/4885NR3C1 498/4885
US-20080076815-A1 Indole compounds as B3 androceptor agonist OPRL1, NPBWR1, NPY4R KDM4E 3516/4885ALDH1A1 3711/4885NR3C1 230/4885
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ADRB3, ADRB2, OPRD1 KDM4E 4115/4885ALDH1A1 3156/4885NR3C1 301/4885

“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.