SCHEMBL304064

SCHEMBL304064

Cc1cc(Br)c2cnn(-c3ccc(F)cc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 13/20 0.47
CYP1A2 P05177 2/20 0.45
CYP17A1 P05093 1/20 0.45
TSHR P16473 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
PGR P06401 1/20 0.43
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL303854 0.85 RAB9A (0.44) NR3C1CYP1A2CYP17A1SMN1; SMN2HTT
SCHEMBL303393 0.83 NPBWR1 (0.50) NR3C1TSHRSMN1; SMN2HTTALDH1A1
SCHEMBL476841 0.82 NR3C1 (0.47) NR3C1CYP1A2CYP17A1TSHRSMN1; SMN2
SCHEMBL304556 0.82 CYP17A1 (0.45) CYP1A2CYP17A1TSHRMAPT
SCHEMBL13884790 0.82 ALDH1A1 (0.40) NR3C1SMN1; SMN2HTTALDH1A1L3MBTL1
SCHEMBL4398029 0.79 NPC1 (0.49) NR3C1TSHRSMN1; SMN2HTTALDH1A1
SCHEMBL1255967 0.78 NOTUM (0.48) NR3C1TSHRSMN1; SMN2HTTLMNA
SCHEMBL304234 0.77 SCN9A (0.46)
SCHEMBL567717 0.77 CYP17A1 (0.45) NR3C1CYP1A2CYP17A1ALDH1A1L3MBTL1
SCHEMBL441028 0.77 CYP1A2 (0.54) NR3C1CYP1A2CYP17A1PGRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183182-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-06-15 US disclosed
EP-1869003-B1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LTD (GB) 2013-05-15 EP disclosed
EP-1869003-B1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LTD (GB) 2013-05-15 EP disclosed
EP-2081910-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2012-02-01 EP disclosed
EP-2081910-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2012-02-01 EP disclosed
US-8093281-B2 Indazoles as glucocorticoid receptor ligands GLAXO GROUP LIMITED (GB) 2012-01-10 US disclosed
US-8093281-B2 Indazoles as glucocorticoid receptor ligands GLAXO GROUP LIMITED (GB) 2012-01-10 US disclosed
US-8093281-B2 Indazoles as glucocorticoid receptor ligands GLAXO GROUP LIMITED (GB) 2012-01-10 US disclosed
US-7947727-B2 Compounds GlaxoGroupLimited (GB) 2011-05-24 US disclosed
US-7947727-B2 Compounds GlaxoGroupLimited (GB) 2011-05-24 US disclosed
US-7947727-B2 Compounds GlaxoGroupLimited (GB) 2011-05-24 US disclosed
US-20100120883-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-05-13 US disclosed
US-20100120883-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-05-13 US disclosed
US-20100120883-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-05-13 US disclosed
US-20090074675-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-03-19 US disclosed
US-20090074675-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-03-19 US disclosed
US-20090074675-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-03-19 US disclosed
WO-2008043789-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-17 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 (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-20090074675-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS NR3C1, NR3C2, MC2R NR3C1 1/4885CYP1A2 260/4885CYP17A1 55/4885
US-20100120883-A1 NOVEL COMPOUNDS TSLP, LTB4R2, LTB4R NR3C1 267/4885CYP1A2 101/4885CYP17A1 150/4885
US-20230183182-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF P2RX4, P2RX7, P2RX2 NR3C1 911/4885CYP1A2 315/4885CYP17A1 667/4885

“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.