SCHEMBL6498095

SCHEMBL6498095

Cc1noc(-c2ccc(Br)c(C)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.56
S1PR1 P21453 3/20 0.55
TP53 P04637 3/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
BCHE P06276 1/20 0.46
HTR1A P08908 1/20 0.44
HTR2C P28335 1/20 0.44
PDK2 Q15119 1/20 0.44
LRRK2 Q5S007 1/20 0.43
MAPK14 Q16539 1/20 0.41
S1PR3 Q99500 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL1233610 0.86 ACHE (0.56) ACHES1PR1TP53MAPTNPC1
SCHEMBL2092192 0.85 NPC1 (0.63) ACHES1PR1TP53MAPTNPC1
SCHEMBL4039087 0.83 ACHE (0.53) ACHES1PR1TP53MAPTNPC1
SCHEMBL12586444 0.81 ACHE (0.54) ACHES1PR1TP53MAPTNPC1
SCHEMBL13415305 0.80 ACHE (0.80) ACHETP53MAPTNPC1RAB9A
SCHEMBL7801054 0.80 S1PR1 (0.50) ACHES1PR1TP53MAPTNPC1
SCHEMBL430981 0.80 SMN1; SMN2 (0.52) ACHES1PR1MAPTNPC1RAB9A
SCHEMBL25857536 0.78 LRRK2 (0.52) ACHES1PR1TP53MAPTNPC1
SCHEMBL20437904 0.78 ACHE (0.51) ACHES1PR1TP53MAPTNPC1
SCHEMBL20030372 0.78 S1PR1 (0.54) ACHES1PR1TP53MAPTBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-03-24 US disclosed
EP-0533268-B1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LTD (GB) 2001-08-16 EP disclosed
EP-0799226-B1 TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-02-07 EP disclosed
US-5972951-A Tetracyclic spiro compounds, process for their preparation and their use as 5HT1D receptor antagonists SMITHKLINE BEECHAM PLC (GB) 1999-10-26 US disclosed
US-5801170-A Heterocyclic biphenylylamides useful as 5HT1D antagonists SMITHKLINE BEECHAM PLC (GB) 1998-09-01 US disclosed
EP-0799226-A1 TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed
EP-0733048-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-09-25 EP disclosed
WO-1996019477-A1 TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed
US-5510350-A USEFUL IN TREATMENT OR PROPHYLAXIS OF DEPRESSION AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS GLAXO GROUP LIMITED (GB) 1996-04-23 US disclosed
WO-1995015954-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-06-15 WO disclosed
US-5340810-A Useful in the treatment and prophylaxis of depression and other disorders of the central nervous system GLAXO GROUP LIMITED (GB) 1994-08-23 US disclosed
EP-0533268-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 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 (1 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-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors MAPK3, MAPK1, MAPKAPK3 ACHE 3695/4885S1PR1 939/4885TP53 2295/4885

“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.